7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine

C50H42N2 — CID 155484125

IUPAC7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine
SMILESCC1C=c2c(c3ccc(N(C4=CC=CCC4C)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3n2-c2ccc(-c3ccccc3)cc2)=CC1
InChIInChI=1S/C50H42N2/c1-35-17-31-46-47-32-30-45(34-50(47)52(49(46)33-35)44-28-24-41(25-29-44)38-14-7-4-8-15-38)51(48-16-10-9-11-36(48)2)43-26-22-42(23-27-43)40-20-18-39(19-21-40)37-12-5-3-6-13-37/h3-10,12-16,18-36H,11,17H2,1-2H3
InChIKeyBCRABZPINTYZMW-UHFFFAOYSA-N
MW670.90 g/mol
LogP11.85
Rot. Bonds7

About 7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine

7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine (PubChem CID 155484125) has the molecular formula C50H42N2 and a molecular weight of 670.90 g/mol. Its IUPAC name is 7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine.

Molecular Properties

Compound Name7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine
PubChem CID155484125
Molecular FormulaC50H42N2
Molecular Weight670.90 g/mol
Exact Mass670.33
IUPAC Name7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine
SMILESCC1C=c2c(c3ccc(N(C4=CC=CCC4C)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3n2-c2ccc(-c3ccccc3)cc2)=CC1
InChIInChI=1S/C50H42N2/c1-35-17-31-46-47-32-30-45(34-50(47)52(49(46)33-35)44-28-24-41(25-29-44)38-14-7-4-8-15-38)51(48-16-10-9-11-36(48)2)43-26-22-42(23-27-43)40-20-18-39(19-21-40)37-12-5-3-6-13-37/h3-10,12-16,18-36H,11,17H2,1-2H3
InChIKeyBCRABZPINTYZMW-UHFFFAOYSA-N
XLogP11.85
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.90
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[4-(N-(6-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 155105871
N-[4-[9-(4-benzylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(6-methylcyclohexa-1,3-dien-1-yl)fluoren-2-amine
CID 139297492
N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine
CID 170135922
N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138737604
6-[9-(3-methylcyclohexa-1,5-dien-1-yl)-6-[9-phenyl-6-(N-phenylanilino)carbazol-3-yl]carbazol-3-yl]-N,N,9-triphenylcarbazol-3-amine
CID 163478963
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
3-[6-methyl-9-(4-phenylphenyl)-6,7-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 90261695
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-cyclohepta-1,3,6-trien-1-yl-N,9-diphenyl-6-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 146625646
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine?
The IUPAC name of 7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine (CID 155484125) is 7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine.
What is the SMILES notation for 7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine?
The canonical SMILES for 7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine is CC1C=c2c(c3ccc(N(C4=CC=CCC4C)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)cc3n2-c2ccc(-c3ccccc3)cc2)=CC1.
What is the InChIKey of 7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine?
The InChIKey is BCRABZPINTYZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N2/c1-35-17-31-46-47-32-30-45(34-50(47)52(49(46)33-35)44-28-24-41(25-29-44)38-14-7-4-8-15-38)51(48-16-10-9-11-36(48)2)43-26-22-42(23-27-43)40-20-18-39(19-21-40)37-12-5-3-6-13-37/h3-10,12-16,18-36H,11,17H2,1-2H3.
What are the key properties of 7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine?
7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine has a molecular weight of 670.90 g/mol, XLogP of 11.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(6-methylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydrocarbazol-2-amine is sourced from PubChem (CID 155484125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).