2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine

C302H174N30O4S8 — CID 159277031

About 2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine

2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 159277031) has the molecular formula C302H174N30O4S8 and a molecular weight of 4543.46 g/mol. Its IUPAC name is 2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 159277031
• Molecular Formula: C302H174N30O4S8
• Molecular Weight: 4543.46 g/mol
• Exact Mass: 4539.21
• IUPAC Name: 2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6oc5c43)nc(-c3ccccc3)c21.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6[nH]c5c43)nc3c2sc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5c4sc4ccccc45)ccc32)cc1.c1ccc2c(c1)sc1c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)nc12.c1cncc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6oc5c43)nc3c2oc2ccccc23)c1.c1cncc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3c2oc2ccccc23)c1.c1cncc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3c2sc2ccccc23)c1
• InChI: InChI=1S/C44H26N4S.C41H27N3O.C38H21N3S2.C37H20N4O2.C37H20N4OS.C37H20N4S2.2C34H20N4S/c1-2-13-29(14-3-1)47-35-19-9-6-16-31(35)34-26-28(23-24-37(34)47)41-43-42(33-18-8-11-21-39(33)49-43)46-44(45-41)48-36-20-10-7-17-32(36)40-30-15-5-4-12-27(30)22-25-38(40)48;1-41(2)30-21-11-8-18-27(30)37-35(41)36(24-14-4-3-5-15-24)42-40(43-37)44-31-22-12-9-19-28(31)33-25-16-6-7-17-26(25)34-29-20-10-13-23-32(29)45-39(34)38(33)44;1-2-12-22(13-3-1)33-37-34(27-18-8-11-21-30(27)43-37)40-38(39-33)41-28-19-9-6-16-25(28)31-23-14-4-5-15-24(23)32-26-17-7-10-20-29(26)42-36(32)35(31)41;1-2-12-23-22(11-1)30-24-13-3-6-16-27(24)41(34(30)35-31(23)25-14-4-7-17-28(25)42-35)37-39-32(21-10-9-19-38-20-21)36-33(40-37)26-15-5-8-18-29(26)43-36;1-2-12-23-22(11-1)30-24-13-3-6-16-27(24)41(34(30)36-31(23)26-15-5-8-18-29(26)43-36)37-39-32(21-10-9-19-38-20-21)35-33(40-37)25-14-4-7-17-28(25)42-35;1-2-12-23-22(11-1)30-24-13-3-6-16-27(24)41(34(30)35-31(23)25-14-4-7-17-28(25)42-35)37-39-32(21-10-9-19-38-20-21)36-33(40-37)26-15-5-8-18-29(26)43-36;1-6-16-26-21(11-1)22-12-2-7-17-27(22)37(26)33-32-31(25-15-5-10-20-30(25)39-32)35-34(36-33)38-28-18-8-3-13-23(28)24-14-4-9-19-29(24)38;1-2-10-20(11-3-1)29-33-31(25-14-6-9-17-28(25)39-33)37-34(36-29)38-27-16-8-5-13-22(27)24-19-18-23-21-12-4-7-15-26(21)35-30(23)32(24)38/h1-26H;3-23H,1-2H3;1-21H;3*1-20H;1-20H;1-19,35H
• InChIKey: KYLAWACFHPPGRC-UHFFFAOYSA-N
• XLogP: 82.04
• TPSA: 362.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 41
• Rotatable Bonds: 17
• Heavy Atoms: 344
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4543.46
LogP ≤ 5	82.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 159277031) is 2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6oc5c43)nc(-c3ccccc3)c21.c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5c6ccccc6[nH]c5c43)nc3c2sc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5c4sc4ccccc45)ccc32)cc1.c1ccc2c(c1)sc1c(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)nc12.c1cncc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6oc5c43)nc3c2oc2ccccc23)c1.c1cncc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3c2oc2ccccc23)c1.c1cncc(-c2nc(-n3c4ccccc4c4c5ccccc5c5c6ccccc6sc5c43)nc3c2sc2ccccc23)c1.

What is the InChIKey of 2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is KYLAWACFHPPGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4S.C41H27N3O.C38H21N3S2.C37H20N4O2.C37H20N4OS.C37H20N4S2.2C34H20N4S/c1-2-13-29(14-3-1)47-35-19-9-6-16-31(35)34-26-28(23-24-37(34)47)41-43-42(33-18-8-11-21-39(33)49-43)46-44(45-41)48-36-20-10-7-17-32(36)40-30-15-5-4-12-27(30)22-25-38(40)48;1-41(2)30-21-11-8-18-27(30)37-35(41)36(24-14-4-3-5-15-24)42-40(43-37)44-31-22-12-9-19-28(31)33-25-16-6-7-17-26(25)34-29-20-10-13-23-32(29)45-39(34)38(33)44;1-2-12-22(13-3-1)33-37-34(27-18-8-11-21-30(27)43-37)40-38(39-33)41-28-19-9-6-16-25(28)31-23-14-4-5-15-24(23)32-26-17-7-10-20-29(26)42-36(32)35(31)41;1-2-12-23-22(11-1)30-24-13-3-6-16-27(24)41(34(30)35-31(23)25-14-4-7-17-28(25)42-35)37-39-32(21-10-9-19-38-20-21)36-33(40-37)26-15-5-8-18-29(26)43-36;1-2-12-23-22(11-1)30-24-13-3-6-16-27(24)41(34(30)36-31(23)26-15-5-8-18-29(26)43-36)37-39-32(21-10-9-19-38-20-21)35-33(40-37)25-14-4-7-17-28(25)42-35;1-2-12-23-22(11-1)30-24-13-3-6-16-27(24)41(34(30)35-31(23)25-14-4-7-17-28(25)42-35)37-39-32(21-10-9-19-38-20-21)36-33(40-37)26-15-5-8-18-29(26)43-36;1-6-16-26-21(11-1)22-12-2-7-17-27(22)37(26)33-32-31(25-15-5-10-20-30(25)39-32)35-34(36-33)38-28-18-8-3-13-23(28)24-14-4-9-19-29(24)38;1-2-10-20(11-3-1)29-33-31(25-14-6-9-17-28(25)39-33)37-34(36-29)38-27-16-8-5-13-22(27)24-19-18-23-21-12-4-7-15-26(21)35-30(23)32(24)38/h1-26H;3-23H,1-2H3;1-21H;3*1-20H;1-20H;1-19,35H.

What are the key properties of 2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine?

2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 4543.46 g/mol, XLogP of 82.04, 17 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzo[c]carbazol-7-yl-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine;2,4-di(carbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidine;24-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;2-(11H-indolo[2,3-a]carbazol-12-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-3-oxa-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;24-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;4-pyridin-3-yl-2-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 159277031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).