3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

C62H39N3 — CID 118137464

IUPAC3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5cc(-n6c7ccccc7c7ccccc76)cc6ccc7cc(-n8c9ccccc9c9ccccc98)cc4c7c65)cc3)c2)cc1
InChIInChI=1S/C62H39N3/c1-3-15-40(16-4-1)45-33-46(41-17-5-2-6-18-41)35-47(34-45)42-29-31-48(32-30-42)63-59-38-49(64-55-23-11-7-19-51(55)52-20-8-12-24-56(52)64)36-43-27-28-44-37-50(39-60(63)62(44)61(43)59)65-57-25-13-9-21-53(57)54-22-10-14-26-58(54)65/h1-39H
InChIKeySKXUTIYBYCFLHC-UHFFFAOYSA-N
MW826.02 g/mol
LogP16.57
Rot. Bonds6

About 3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene (PubChem CID 118137464) has the molecular formula C62H39N3 and a molecular weight of 826.02 g/mol. Its IUPAC name is 3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene.

Molecular Properties

Compound Name3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
PubChem CID118137464
Molecular FormulaC62H39N3
Molecular Weight826.02 g/mol
Exact Mass825.31
IUPAC Name3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5cc(-n6c7ccccc7c7ccccc76)cc6ccc7cc(-n8c9ccccc9c9ccccc98)cc4c7c65)cc3)c2)cc1
InChIInChI=1S/C62H39N3/c1-3-15-40(16-4-1)45-33-46(41-17-5-2-6-18-41)35-47(34-45)42-29-31-48(32-30-42)63-59-38-49(64-55-23-11-7-19-51(55)52-20-8-12-24-56(52)64)36-43-27-28-44-37-50(39-60(63)62(44)61(43)59)65-57-25-13-9-21-53(57)54-22-10-14-26-58(54)65/h1-39H
InChIKeySKXUTIYBYCFLHC-UHFFFAOYSA-N
XLogP16.57
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.02
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene with MolForge

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Related Compounds

9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
CID 58971457
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
3,10-bis(3,6-diphenylcarbazol-9-yl)-15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137482
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118318959
9-(4-pyren-2-ylphenyl)carbazole
CID 58273485
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087

Frequently Asked Questions

What is the IUPAC name of 3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The IUPAC name of 3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene (CID 118137464) is 3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene.
What is the SMILES notation for 3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The canonical SMILES for 3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5cc(-n6c7ccccc7c7ccccc76)cc6ccc7cc(-n8c9ccccc9c9ccccc98)cc4c7c65)cc3)c2)cc1.
What is the InChIKey of 3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The InChIKey is SKXUTIYBYCFLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3/c1-3-15-40(16-4-1)45-33-46(41-17-5-2-6-18-41)35-47(34-45)42-29-31-48(32-30-42)63-59-38-49(64-55-23-11-7-19-51(55)52-20-8-12-24-56(52)64)36-43-27-28-44-37-50(39-60(63)62(44)61(43)59)65-57-25-13-9-21-53(57)54-22-10-14-26-58(54)65/h1-39H.
What are the key properties of 3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?
3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene has a molecular weight of 826.02 g/mol, XLogP of 16.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-di(carbazol-9-yl)-15-[4-(3,5-diphenylphenyl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 118137464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).