N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine

C49H38N2 — CID 138737604

IUPACN-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESCC1C=CC=CC1c1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c3c2)cc1
InChIInChI=1S/C49H38N2/c1-35-12-8-9-17-45(35)40-26-30-42(31-27-40)50(41-15-6-3-7-16-41)44-32-33-47-46-18-10-11-19-48(46)51(49(47)34-44)43-28-24-39(25-29-43)38-22-20-37(21-23-38)36-13-4-2-5-14-36/h2-35,45H,1H3
InChIKeyKQUOGOPSZJTWOY-UHFFFAOYSA-N
MW654.86 g/mol
LogP13.43
Rot. Bonds7

About N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine

N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine (PubChem CID 138737604) has the molecular formula C49H38N2 and a molecular weight of 654.86 g/mol. Its IUPAC name is N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
PubChem CID138737604
Molecular FormulaC49H38N2
Molecular Weight654.86 g/mol
Exact Mass654.30
IUPAC NameN-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESCC1C=CC=CC1c1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c3c2)cc1
InChIInChI=1S/C49H38N2/c1-35-12-8-9-17-45(35)40-26-30-42(31-27-40)50(41-15-6-3-7-16-41)44-32-33-47-46-18-10-11-19-48(46)51(49(47)34-44)43-28-24-39(25-29-43)38-22-20-37(21-23-38)36-13-4-2-5-14-36/h2-35,45H,1H3
InChIKeyKQUOGOPSZJTWOY-UHFFFAOYSA-N
XLogP13.43
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.86
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 130349362
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
2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 157469866
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
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
2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-(2-carbazol-9-ylcarbazol-9-yl)-N-phenyl-N-(4-phenylphenyl)aniline;2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylcarbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine;N-phenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine
CID 158775841
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The IUPAC name of N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine (CID 138737604) is N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The canonical SMILES for N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine is CC1C=CC=CC1c1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c3c2)cc1.
What is the InChIKey of N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
The InChIKey is KQUOGOPSZJTWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N2/c1-35-12-8-9-17-45(35)40-26-30-42(31-27-40)50(41-15-6-3-7-16-41)44-32-33-47-46-18-10-11-19-48(46)51(49(47)34-44)43-28-24-39(25-29-43)38-22-20-37(21-23-38)36-13-4-2-5-14-36/h2-35,45H,1H3.
What are the key properties of N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine?
N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine has a molecular weight of 654.86 g/mol, XLogP of 13.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine is sourced from PubChem (CID 138737604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).