N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C60H44N2 — CID 145159851

IUPACN-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC1=CCCC(c2cc(-c3ccccc3)cc3c2c2ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc2n3-c2ccccc2)=C1
InChIInChI=1S/C60H44N2/c1-6-16-43(17-7-1)46-26-33-53(34-27-46)61(54-35-28-47(29-36-54)44-18-8-2-9-19-44)55-37-30-48(31-38-55)50-32-39-56-58(41-50)62(52-24-14-5-15-25-52)59-42-51(45-20-10-3-11-21-45)40-57(60(56)59)49-22-12-4-13-23-49/h1-12,14-22,24-42H,13,23H2
InChIKeyGEIGXNJVKYZUJI-UHFFFAOYSA-N
MW793.03 g/mol
LogP16.65
Rot. Bonds9

About N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 145159851) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID145159851
Molecular FormulaC60H44N2
Molecular Weight793.03 g/mol
Exact Mass792.35
IUPAC NameN-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC1=CCCC(c2cc(-c3ccccc3)cc3c2c2ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc2n3-c2ccccc2)=C1
InChIInChI=1S/C60H44N2/c1-6-16-43(17-7-1)46-26-33-53(34-27-46)61(54-35-28-47(29-36-54)44-18-8-2-9-19-44)55-37-30-48(31-38-55)50-32-39-56-58(41-50)62(52-24-14-5-15-25-52)59-42-51(45-20-10-3-11-21-45)40-57(60(56)59)49-22-12-4-13-23-49/h1-12,14-22,24-42H,13,23H2
InChIKeyGEIGXNJVKYZUJI-UHFFFAOYSA-N
XLogP16.65
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-[9-phenyl-7-[2-phenyl-9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-4-yl]carbazol-2-yl]phenyl]carbazol-2-amine
CID 167219897
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
4-(5,9-diphenylcarbazol-2-yl)-N,N-diphenylaniline
CID 169010334
N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159476241
4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337160
3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659605
N-[4-(1,7,8,8a-tetrahydronaphthalen-2-yl)phenyl]-N-[3-(2,7,9-triphenylcarbazol-4-yl)phenyl]phenanthren-2-amine
CID 167195991
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337175
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 145159851) is N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is C1=CCCC(c2cc(-c3ccccc3)cc3c2c2ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc2n3-c2ccccc2)=C1.
What is the InChIKey of N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is GEIGXNJVKYZUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-6-16-43(17-7-1)46-26-33-53(34-27-46)61(54-35-28-47(29-36-54)44-18-8-2-9-19-44)55-37-30-48(31-38-55)50-32-39-56-58(41-50)62(52-24-14-5-15-25-52)59-42-51(45-20-10-3-11-21-45)40-57(60(56)59)49-22-12-4-13-23-49/h1-12,14-22,24-42H,13,23H2.
What are the key properties of N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 793.03 g/mol, XLogP of 16.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 145159851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).