4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline

C66H46N2 — CID 145110606

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6cccc(-c7ccccc7)c6c6cc(-c7ccccc7)cc(-c7ccccc7)c65)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-6-17-47(18-7-1)50-29-37-57(38-30-50)67(58-39-31-51(32-40-58)48-19-8-2-9-20-48)59-41-33-52(34-42-59)53-35-43-60(44-36-53)68-64-28-16-27-61(54-23-12-4-13-24-54)65(64)63-46-56(49-21-10-3-11-22-49)45-62(66(63)68)55-25-14-5-15-26-55/h1-46H
InChIKeyFOQZMBYCCYCHKG-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.26
Rot. Bonds10

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline (PubChem CID 145110606) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline
PubChem CID145110606
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6cccc(-c7ccccc7)c6c6cc(-c7ccccc7)cc(-c7ccccc7)c65)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-6-17-47(18-7-1)50-29-37-57(38-30-50)67(58-39-31-51(32-40-58)48-19-8-2-9-20-48)59-41-33-52(34-42-59)53-35-43-60(44-36-53)68-64-28-16-27-61(54-23-12-4-13-24-54)65(64)63-46-56(49-21-10-3-11-22-49)45-62(66(63)68)55-25-14-5-15-26-55/h1-46H
InChIKeyFOQZMBYCCYCHKG-UHFFFAOYSA-N
XLogP18.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.11
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659528
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline
CID 121403668
N,N-diphenyl-4-[4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]aniline
CID 121403671
4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline
CID 169010334
5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 169009894
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
3-(5,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659553
3-[3-(4-carbazol-9-ylphenyl)phenyl]-N,N-diphenyl-5-(9-phenylcarbazol-4-yl)aniline
CID 144888422
4-(1-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N,N-diphenylaniline
CID 172504626
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 169010447
N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 158576235
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline (CID 145110606) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6cccc(-c7ccccc7)c6c6cc(-c7ccccc7)cc(-c7ccccc7)c65)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline?
The InChIKey is FOQZMBYCCYCHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-6-17-47(18-7-1)50-29-37-57(38-30-50)67(58-39-31-51(32-40-58)48-19-8-2-9-20-48)59-41-33-52(34-42-59)53-35-43-60(44-36-53)68-64-28-16-27-61(54-23-12-4-13-24-54)65(64)63-46-56(49-21-10-3-11-22-49)45-62(66(63)68)55-25-14-5-15-26-55/h1-46H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline has a molecular weight of 867.11 g/mol, XLogP of 18.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(1,3,5-triphenylcarbazol-9-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 145110606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).