10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C66H38N2S — CID 163476582

IUPAC10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc(-c3cccc4c5cc(-n6c7ccccc7c7ccccc76)cc6c7ccccc7n(c34)c65)c3c2sc2ccccc23)c1
InChIInChI=1S/C66H38N2S/c1-2-19-46-44(17-1)45-18-3-4-20-47(45)56-36-40(31-32-48(46)56)39-15-13-16-41(35-39)43-33-34-52(63-55-24-8-12-30-62(55)69-66(43)63)53-25-14-26-54-58-38-42(37-57-51-23-7-11-29-61(51)68(64(53)54)65(57)58)67-59-27-9-5-21-49(59)50-22-6-10-28-60(50)67/h1-38H
InChIKeyCAXWYXCKEXSXHY-UHFFFAOYSA-N
MW891.11 g/mol
LogP18.76
Rot. Bonds4

About 10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 163476582) has the molecular formula C66H38N2S and a molecular weight of 891.11 g/mol. Its IUPAC name is 10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID163476582
Molecular FormulaC66H38N2S
Molecular Weight891.11 g/mol
Exact Mass890.28
IUPAC Name10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc(-c3cccc4c5cc(-n6c7ccccc7c7ccccc76)cc6c7ccccc7n(c34)c65)c3c2sc2ccccc23)c1
InChIInChI=1S/C66H38N2S/c1-2-19-46-44(17-1)45-18-3-4-20-47(45)56-36-40(31-32-48(46)56)39-15-13-16-41(35-39)43-33-34-52(63-55-24-8-12-30-62(55)69-66(43)63)53-25-14-26-54-58-38-42(37-57-51-23-7-11-29-61(51)68(64(53)54)65(57)58)67-59-27-9-5-21-49(59)50-22-6-10-28-60(50)67/h1-38H
InChIKeyCAXWYXCKEXSXHY-UHFFFAOYSA-N
XLogP18.76
TPSA9.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.11
LogP ≤ 518.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
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3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
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4-(3-triphenylen-2-ylphenyl)-24-azaheptacyclo[12.11.0.02,7.03,24.08,13.017,25.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15,17(25),18,20,22-dodecaene
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24-(3-dibenzothiophen-4-ylphenyl)-32-thia-20-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.021,26.027,31]dotriaconta-1(31),2(7),3,5,8(13),9,11,14,16,18,21(26),22,24,27,29-pentadecaene
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10-[9-[3-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]triphenylen-1-yl]phenyl]phenyl]carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
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2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 146490719
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
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bis(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;(4-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;(3-carbazol-9-ylphenyl)-(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;5-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-[3-(3-triphenylen-2-ylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
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3-[3-[3-(3-carbazol-9-yl-5-triphenylen-2-ylphenyl)-5-dibenzothiophen-4-ylphenyl]phenyl]phenanthro[9,10-c]pyridine
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2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
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9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 163476582) is 10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc(-c3cccc4c5cc(-n6c7ccccc7c7ccccc76)cc6c7ccccc7n(c34)c65)c3c2sc2ccccc23)c1.
What is the InChIKey of 10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is CAXWYXCKEXSXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N2S/c1-2-19-46-44(17-1)45-18-3-4-20-47(45)56-36-40(31-32-48(46)56)39-15-13-16-41(35-39)43-33-34-52(63-55-24-8-12-30-62(55)69-66(43)63)53-25-14-26-54-58-38-42(37-57-51-23-7-11-29-61(51)68(64(53)54)65(57)58)67-59-27-9-5-21-49(59)50-22-6-10-28-60(50)67/h1-38H.
What are the key properties of 10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 891.11 g/mol, XLogP of 18.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbazol-9-yl-3-[4-(3-triphenylen-2-ylphenyl)dibenzothiophen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 163476582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).