8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine

C60H40N2 — CID 174307730

IUPAC8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cc4ccccc4c4c3c3cc(-c5cc6ccccc6c6ccccc56)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C60H40N2/c1-4-18-41(19-5-1)42-32-35-48(36-33-42)61(56-31-17-16-27-50(56)43-20-6-2-7-21-43)58-40-45-23-11-13-28-51(45)60-59(58)55-39-46(34-37-57(55)62(60)47-24-8-3-9-25-47)54-38-44-22-10-12-26-49(44)52-29-14-15-30-53(52)54/h1-40H
InChIKeyVGOOTUBXTJSRDZ-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.71
Rot. Bonds7

About 8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine

8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine (PubChem CID 174307730) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine.

Molecular Properties

Compound Name8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
PubChem CID174307730
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cc4ccccc4c4c3c3cc(-c5cc6ccccc6c6ccccc56)ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C60H40N2/c1-4-18-41(19-5-1)42-32-35-48(36-33-42)61(56-31-17-16-27-50(56)43-20-6-2-7-21-43)58-40-45-23-11-13-28-51(45)60-59(58)55-39-46(34-37-57(55)62(60)47-24-8-3-9-25-47)54-38-44-22-10-12-26-49(44)52-29-14-15-30-53(52)54/h1-40H
InChIKeyVGOOTUBXTJSRDZ-UHFFFAOYSA-N
XLogP16.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-dibenzofuran-1-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307685
N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307494
N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307064
8-naphthalen-2-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307587
N-dibenzothiophen-3-yl-8-phenanthren-9-yl-N,11-diphenylbenzo[a]carbazol-6-amine
CID 174307740
5-phenanthren-9-yl-2-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167235413
N-(4-phenanthren-9-ylphenyl)-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166659716
N,N-bis(4-phenanthren-9-ylphenyl)-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660342
N-(4-phenanthren-9-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502544
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167322579
N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167181795
2-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614538

Frequently Asked Questions

What is the IUPAC name of 8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine?
The IUPAC name of 8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine (CID 174307730) is 8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine.
What is the SMILES notation for 8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine?
The canonical SMILES for 8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine is c1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cc4ccccc4c4c3c3cc(-c5cc6ccccc6c6ccccc56)ccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine?
The InChIKey is VGOOTUBXTJSRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-4-18-41(19-5-1)42-32-35-48(36-33-42)61(56-31-17-16-27-50(56)43-20-6-2-7-21-43)58-40-45-23-11-13-28-51(45)60-59(58)55-39-46(34-37-57(55)62(60)47-24-8-3-9-25-47)54-38-44-22-10-12-26-49(44)52-29-14-15-30-53(52)54/h1-40H.
What are the key properties of 8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine?
8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine has a molecular weight of 788.99 g/mol, XLogP of 16.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine is sourced from PubChem (CID 174307730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).