2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine

C206H118N12O4S4 — CID 163995356

IUPAC2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6c(-n7c8ccc9ccccc9c8c8c9ccccc9ccc87)cccc6c45)nc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5oc6c(-n7c8ccccc8c8c9ccccc9ccc87)cccc6c45)nc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2cccc3c2oc2cccc(-c4nc(-c5ccc6ccccc6c5)c5sc6ccccc6c5n4)c23)cc1.c1ccc2cc(-c3nc(-c4cccc5oc6c(-n7c8ccccc8c8cc9ccccc9cc87)cccc6c45)nc4c3sc3ccccc34)ccc2c1
InChIInChI=1S/2C54H31N3OS.C50H29N3OS.C48H27N3OS/c1-2-12-32(13-3-1)33-24-26-36(27-25-33)50-53-51(39-18-8-9-23-46(39)59-53)56-54(55-50)41-20-11-22-45-47(41)40-19-10-21-44(52(40)58-45)57-42-30-28-34-14-4-6-16-37(34)48(42)49-38-17-7-5-15-35(38)29-31-43(49)57;1-2-12-32(13-3-1)37-26-27-44-42(30-37)43-29-35-16-6-7-17-36(35)31-46(43)57(44)45-21-10-19-40-49-41(20-11-22-47(49)58-52(40)45)54-55-50(38-25-24-33-14-4-5-15-34(33)28-38)53-51(56-54)39-18-8-9-23-48(39)59-53;1-2-12-30(13-3-1)31-24-26-33(27-25-31)46-49-47(36-17-7-9-23-43(36)55-49)52-50(51-46)38-19-11-22-42-45(38)37-18-10-21-41(48(37)54-42)53-39-20-8-6-16-35(39)44-34-15-5-4-14-32(34)28-29-40(44)53;1-2-12-29-25-32(24-23-28(29)11-1)44-47-45(34-16-6-8-22-42(34)53-47)50-48(49-44)36-18-10-21-41-43(36)35-17-9-20-39(46(35)52-41)51-38-19-7-5-15-33(38)37-26-30-13-3-4-14-31(30)27-40(37)51/h2*1-31H;1-29H;1-27H
InChIKeyUEEWCWDTGWVUIA-UHFFFAOYSA-N
MW2953.56 g/mol
LogP57.77
Rot. Bonds15

About 2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine

2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 163995356) has the molecular formula C206H118N12O4S4 and a molecular weight of 2953.56 g/mol. Its IUPAC name is 2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID163995356
Molecular FormulaC206H118N12O4S4
Molecular Weight2953.56 g/mol
Exact Mass2950.83
IUPAC Name2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6c(-n7c8ccc9ccccc9c8c8c9ccccc9ccc87)cccc6c45)nc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5oc6c(-n7c8ccccc8c8c9ccccc9ccc87)cccc6c45)nc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2cccc3c2oc2cccc(-c4nc(-c5ccc6ccccc6c5)c5sc6ccccc6c5n4)c23)cc1.c1ccc2cc(-c3nc(-c4cccc5oc6c(-n7c8ccccc8c8cc9ccccc9cc87)cccc6c45)nc4c3sc3ccccc34)ccc2c1
InChIInChI=1S/2C54H31N3OS.C50H29N3OS.C48H27N3OS/c1-2-12-32(13-3-1)33-24-26-36(27-25-33)50-53-51(39-18-8-9-23-46(39)59-53)56-54(55-50)41-20-11-22-45-47(41)40-19-10-21-44(52(40)58-45)57-42-30-28-34-14-4-6-16-37(34)48(42)49-38-17-7-5-15-35(38)29-31-43(49)57;1-2-12-32(13-3-1)37-26-27-44-42(30-37)43-29-35-16-6-7-17-36(35)31-46(43)57(44)45-21-10-19-40-49-41(20-11-22-47(49)58-52(40)45)54-55-50(38-25-24-33-14-4-5-15-34(33)28-38)53-51(56-54)39-18-8-9-23-48(39)59-53;1-2-12-30(13-3-1)31-24-26-33(27-25-31)46-49-47(36-17-7-9-23-43(36)55-49)52-50(51-46)38-19-11-22-42-45(38)37-18-10-21-41(48(37)54-42)53-39-20-8-6-16-35(39)44-34-15-5-4-14-32(34)28-29-40(44)53;1-2-12-29-25-32(24-23-28(29)11-1)44-47-45(34-16-6-8-22-42(34)53-47)50-48(49-44)36-18-10-21-41-43(36)35-17-9-20-39(46(35)52-41)51-38-19-7-5-15-33(38)37-26-30-13-3-4-14-31(30)27-40(37)51/h2*1-31H;1-29H;1-27H
InChIKeyUEEWCWDTGWVUIA-UHFFFAOYSA-N
XLogP57.77
TPSA175.40 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002953.56
LogP ≤ 557.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Related Compounds

2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 146491393
2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 146491011
2-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 162501389
2-[9-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-4-yl]-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 163564942
4-naphthalen-2-yl-2-[8-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 162501502
2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 162501397
4-naphthalen-2-yl-2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 162501470
4-phenyl-2-[6-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 162501348
2-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(5-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-[1]benzothiolo[2,3-d]pyrimidine;4-phenyl-2-[6-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 163860874
2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-cyclohexa-1,3-dien-1-ylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 166701995
2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 162501414
2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 157477610

Frequently Asked Questions

What is the IUPAC name of 2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine (CID 163995356) is 2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4cccc5oc6c(-n7c8ccc9ccccc9c8c8c9ccccc9ccc87)cccc6c45)nc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5oc6c(-n7c8ccccc8c8c9ccccc9ccc87)cccc6c45)nc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2cccc3c2oc2cccc(-c4nc(-c5ccc6ccccc6c5)c5sc6ccccc6c5n4)c23)cc1.c1ccc2cc(-c3nc(-c4cccc5oc6c(-n7c8ccccc8c8cc9ccccc9cc87)cccc6c45)nc4c3sc3ccccc34)ccc2c1.
What is the InChIKey of 2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is UEEWCWDTGWVUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H31N3OS.C50H29N3OS.C48H27N3OS/c1-2-12-32(13-3-1)33-24-26-36(27-25-33)50-53-51(39-18-8-9-23-46(39)59-53)56-54(55-50)41-20-11-22-45-47(41)40-19-10-21-44(52(40)58-45)57-42-30-28-34-14-4-6-16-37(34)48(42)49-38-17-7-5-15-35(38)29-31-43(49)57;1-2-12-32(13-3-1)37-26-27-44-42(30-37)43-29-35-16-6-7-17-36(35)31-46(43)57(44)45-21-10-19-40-49-41(20-11-22-47(49)58-52(40)45)54-55-50(38-25-24-33-14-4-5-15-34(33)28-38)53-51(56-54)39-18-8-9-23-48(39)59-53;1-2-12-30(13-3-1)31-24-26-33(27-25-31)46-49-47(36-17-7-9-23-43(36)55-49)52-50(51-46)38-19-11-22-42-45(38)37-18-10-21-41(48(37)54-42)53-39-20-8-6-16-35(39)44-34-15-5-4-14-32(34)28-29-40(44)53;1-2-12-29-25-32(24-23-28(29)11-1)44-47-45(34-16-6-8-22-42(34)53-47)50-48(49-44)36-18-10-21-41-43(36)35-17-9-20-39(46(35)52-41)51-38-19-7-5-15-33(38)37-26-30-13-3-4-14-31(30)27-40(37)51/h2*1-31H;1-29H;1-27H.
What are the key properties of 2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine?
2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2953.56 g/mol, XLogP of 57.77, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;2-(6-benzo[c]carbazol-7-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-naphthalen-2-yl-2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 163995356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).