N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline

C55H44N2 — CID 167211102

IUPACN-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline
SMILESCc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(N6C7=C(C=CCC7)C7C=CC=CC76)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C55H44N2/c1-39-15-17-41(18-16-39)42-19-21-43(22-20-42)45-25-33-49(34-26-45)56(48-31-23-44(24-32-48)40-9-3-2-4-10-40)50-35-27-46(28-36-50)47-29-37-51(38-30-47)57-54-13-7-5-11-52(54)53-12-6-8-14-55(53)57/h2-7,9-13,15-38,52,54H,8,14H2,1H3
InChIKeyZBKRARDGJOQYCB-UHFFFAOYSA-N
MW732.97 g/mol
LogP14.67
Rot. Bonds8

About N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline

N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline (PubChem CID 167211102) has the molecular formula C55H44N2 and a molecular weight of 732.97 g/mol. Its IUPAC name is N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline
PubChem CID167211102
Molecular FormulaC55H44N2
Molecular Weight732.97 g/mol
Exact Mass732.35
IUPAC NameN-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline
SMILESCc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(N6C7=C(C=CCC7)C7C=CC=CC76)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C55H44N2/c1-39-15-17-41(18-16-39)42-19-21-43(22-20-42)45-25-33-49(34-26-45)56(48-31-23-44(24-32-48)40-9-3-2-4-10-40)50-35-27-46(28-36-50)47-29-37-51(38-30-47)57-54-13-7-5-11-52(54)53-12-6-8-14-55(53)57/h2-7,9-13,15-38,52,54H,8,14H2,1H3
InChIKeyZBKRARDGJOQYCB-UHFFFAOYSA-N
XLogP14.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.97
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
9-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-2-ethyl-3,4,4b,8a-tetrahydrocarbazole
CID 126604407
4-(4-carbazol-9-ylphenyl)-N-[4-(4-methyl-3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]-N-phenylaniline
CID 129311772
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
N-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166876353
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 67892046
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
4-(4a,9a-dihydrocarbazol-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]aniline
CID 146413450
9-(4-methylphenyl)-4a,9a-dihydrocarbazole
CID 70834076
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline?
The IUPAC name of N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline (CID 167211102) is N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline is Cc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(N6C7=C(C=CCC7)C7C=CC=CC76)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline?
The InChIKey is ZBKRARDGJOQYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2/c1-39-15-17-41(18-16-39)42-19-21-43(22-20-42)45-25-33-49(34-26-45)56(48-31-23-44(24-32-48)40-9-3-2-4-10-40)50-35-27-46(28-36-50)47-29-37-51(38-30-47)57-54-13-7-5-11-52(54)53-12-6-8-14-55(53)57/h2-7,9-13,15-38,52,54H,8,14H2,1H3.
What are the key properties of N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline?
N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline has a molecular weight of 732.97 g/mol, XLogP of 14.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 167211102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).