N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine

C50H38N2 — CID 123323004

IUPACN-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine
SMILESC1=Cc2ccccc2C2CC(N(c3ccc(C4C=Cc5c(c6ccccc6n5-c5ccccc5)C4)cc3)c3ccccc3-c3ccccc3)=CC=C12
InChIInChI=1S/C50H38N2/c1-3-13-36(14-4-1)44-19-9-11-21-48(44)51(42-31-27-38-24-23-37-15-7-8-18-43(37)46(38)34-42)41-29-25-35(26-30-41)39-28-32-50-47(33-39)45-20-10-12-22-49(45)52(50)40-16-5-2-6-17-40/h1-32,39,46H,33-34H2
InChIKeyXVHSHOXYVSSDGA-UHFFFAOYSA-N
MW666.87 g/mol
LogP12.81
Rot. Bonds6

About N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine

N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine (PubChem CID 123323004) has the molecular formula C50H38N2 and a molecular weight of 666.87 g/mol. Its IUPAC name is N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine.

Molecular Properties

Compound NameN-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine
PubChem CID123323004
Molecular FormulaC50H38N2
Molecular Weight666.87 g/mol
Exact Mass666.30
IUPAC NameN-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine
SMILESC1=Cc2ccccc2C2CC(N(c3ccc(C4C=Cc5c(c6ccccc6n5-c5ccccc5)C4)cc3)c3ccccc3-c3ccccc3)=CC=C12
InChIInChI=1S/C50H38N2/c1-3-13-36(14-4-1)44-19-9-11-21-48(44)51(42-31-27-38-24-23-37-15-7-8-18-43(37)46(38)34-42)41-29-25-35(26-30-41)39-28-32-50-47(33-39)45-20-10-12-22-49(45)52(50)40-16-5-2-6-17-40/h1-32,39,46H,33-34H2
InChIKeyXVHSHOXYVSSDGA-UHFFFAOYSA-N
XLogP12.81
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.87
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline
CID 166696096
9-phenyl-1-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazole
CID 118228720
9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine
CID 138510419
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole
CID 166953173
2-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]aniline
CID 167194962
5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),6,11,13,15,17,19,21-decaene
CID 134301201
3-[9-[3,5-bis(3-fluorophenyl)phenyl]-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163674925
2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847633
9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole
CID 145085569

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine?
The IUPAC name of N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine (CID 123323004) is N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine.
What is the SMILES notation for N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine?
The canonical SMILES for N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine is C1=Cc2ccccc2C2CC(N(c3ccc(C4C=Cc5c(c6ccccc6n5-c5ccccc5)C4)cc3)c3ccccc3-c3ccccc3)=CC=C12.
What is the InChIKey of N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine?
The InChIKey is XVHSHOXYVSSDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N2/c1-3-13-36(14-4-1)44-19-9-11-21-48(44)51(42-31-27-38-24-23-37-15-7-8-18-43(37)46(38)34-42)41-29-25-35(26-30-41)39-28-32-50-47(33-39)45-20-10-12-22-49(45)52(50)40-16-5-2-6-17-40/h1-32,39,46H,33-34H2.
What are the key properties of N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine?
N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine has a molecular weight of 666.87 g/mol, XLogP of 12.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(2-phenylphenyl)-4,4a-dihydrophenanthren-3-amine is sourced from PubChem (CID 123323004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).