4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine

C138H76N12OS2 — CID 161201220

IUPAC4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccc6ccccc6c5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)c4c(n3)sc3ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6n6c7ccccc7c(cc43)c56)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6n6c7ccccc7c(cc43)c56)c3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C50H28N4S.C44H24N4O.C44H24N4S/c1-2-12-29(13-3-1)30-22-24-32(25-23-30)48-51-49(45-36-18-8-11-21-42(36)55-50(45)52-48)54-40-27-26-31-14-4-5-15-33(31)43(40)46-41(54)28-37-34-16-6-9-19-38(34)53-39-20-10-7-17-35(39)44(46)47(37)53;2*1-2-13-26(14-3-1)42-45-43(39-30-18-8-11-21-36(30)49-44(39)46-42)48-34-23-22-25-12-4-5-15-27(25)37(34)40-35(48)24-31-28-16-6-9-19-32(28)47-33-20-10-7-17-29(33)38(40)41(31)47/h1-28H;2*1-24H
InChIKeyUUZRWRZKXWIGJM-UHFFFAOYSA-N
MW1982.34 g/mol
LogP36.93
Rot. Bonds7

About 4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine

4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine (PubChem CID 161201220) has the molecular formula C138H76N12OS2 and a molecular weight of 1982.34 g/mol. Its IUPAC name is 4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine
PubChem CID161201220
Molecular FormulaC138H76N12OS2
Molecular Weight1982.34 g/mol
Exact Mass1980.57
IUPAC Name4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccc6ccccc6c5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)c4c(n3)sc3ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6n6c7ccccc7c(cc43)c56)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6n6c7ccccc7c(cc43)c56)c3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C50H28N4S.C44H24N4O.C44H24N4S/c1-2-12-29(13-3-1)30-22-24-32(25-23-30)48-51-49(45-36-18-8-11-21-42(36)55-50(45)52-48)54-40-27-26-31-14-4-5-15-33(31)43(40)46-41(54)28-37-34-16-6-9-19-38(34)53-39-20-10-7-17-35(39)44(46)47(37)53;2*1-2-13-26(14-3-1)42-45-43(39-30-18-8-11-21-36(30)49-44(39)46-42)48-34-23-22-25-12-4-5-15-27(25)37(34)40-35(48)24-31-28-16-6-9-19-32(28)47-33-20-10-7-17-29(33)38(40)41(31)47/h1-28H;2*1-24H
InChIKeyUUZRWRZKXWIGJM-UHFFFAOYSA-N
XLogP36.93
TPSA118.50 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001982.34
LogP ≤ 536.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine with MolForge

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Related Compounds

4-(8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaen-23-yl)-2-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;4-(8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaen-23-yl)-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine;4-(8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaen-23-yl)-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 160601783
4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 130260269
4-(8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaen-23-yl)-2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidine
CID 130260074
2-carbazol-9-yl-4-(19-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17(22),18,20-dodecaen-23-yl)-[1]benzothiolo[2,3-d]pyrimidine
CID 130259365
2-phenyl-4-(5-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaen-17-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 130259217
4-carbazol-9-yl-2-[5-(4-phenylphenyl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17,19,21-dodecaen-23-yl]-[1]benzofuro[2,3-d]pyrimidine
CID 138708831
2-naphthalen-2-yl-4-(5-phenyl-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaen-17-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 130258997
4-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;4-(9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),3,5,7,11,13,15,17,20,22,24,26,28-tetradecaen-9-yl)-2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 158799010
2-phenyl-4-(9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaen-18-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 137421846
2-phenyl-4-(24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 130222706
4-(12,27-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20(28),21,23,25-tetradecaen-27-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 130258760
4-(19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-19-yl)-2,7-diphenyl-[1]benzofuro[2,3-d]pyrimidine
CID 172624872

Frequently Asked Questions

What is the IUPAC name of 4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine?
The IUPAC name of 4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine (CID 161201220) is 4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-n4c5ccc6ccccc6c5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)c4c(n3)sc3ccccc34)cc2)cc1.c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6n6c7ccccc7c(cc43)c56)c3c(n2)oc2ccccc23)cc1.c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4c5c6ccccc6n6c7ccccc7c(cc43)c56)c3c(n2)sc2ccccc23)cc1.
What is the InChIKey of 4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine?
The InChIKey is UUZRWRZKXWIGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4S.C44H24N4O.C44H24N4S/c1-2-12-29(13-3-1)30-22-24-32(25-23-30)48-51-49(45-36-18-8-11-21-42(36)55-50(45)52-48)54-40-27-26-31-14-4-5-15-33(31)43(40)46-41(54)28-37-34-16-6-9-19-38(34)53-39-20-10-7-17-35(39)44(46)47(37)53;2*1-2-13-26(14-3-1)42-45-43(39-30-18-8-11-21-36(30)49-44(39)46-42)48-34-23-22-25-12-4-5-15-27(25)37(34)40-35(48)24-31-28-16-6-9-19-32(28)47-33-20-10-7-17-29(33)38(40)41(31)47/h1-28H;2*1-24H.
What are the key properties of 4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine?
4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine has a molecular weight of 1982.34 g/mol, XLogP of 36.93, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-phenyl-[1]benzothiolo[2,3-d]pyrimidine;4-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.04,9.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-2-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidine is sourced from PubChem (CID 161201220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).