N-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C66H48N2 — CID 166876353

IUPACN-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC1=CC(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)C(n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)C=C1
InChIInChI=1S/C66H48N2/c1-5-15-47(16-6-1)52-29-37-58(38-30-52)67(59-39-31-53(32-40-59)48-17-7-2-8-18-48)60-41-33-54(34-42-60)51-25-27-55(28-26-51)61-23-13-14-24-64(61)68-65-43-35-56(49-19-9-3-10-20-49)45-62(65)63-46-57(36-44-66(63)68)50-21-11-4-12-22-50/h1-46,61,64H
InChIKeyWZQZXKILNQHADY-UHFFFAOYSA-N
MW869.12 g/mol
LogP18.05
Rot. Bonds10

About N-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 166876353) has the molecular formula C66H48N2 and a molecular weight of 869.12 g/mol. Its IUPAC name is N-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID166876353
Molecular FormulaC66H48N2
Molecular Weight869.12 g/mol
Exact Mass868.38
IUPAC NameN-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC1=CC(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)C(n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)C=C1
InChIInChI=1S/C66H48N2/c1-5-15-47(16-6-1)52-29-37-58(38-30-52)67(59-39-31-53(32-40-59)48-17-7-2-8-18-48)60-41-33-54(34-42-60)51-25-27-55(28-26-51)61-23-13-14-24-64(61)68-65-43-35-56(49-19-9-3-10-20-49)45-62(65)63-46-57(36-44-66(63)68)50-21-11-4-12-22-50/h1-46,61,64H
InChIKeyWZQZXKILNQHADY-UHFFFAOYSA-N
XLogP18.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.12
LogP ≤ 518.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138737604
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline
CID 90193949
N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 126631207
N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129301089

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 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) is N-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is C1=CC(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)C(n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)C=C1.
What is the InChIKey of N-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is WZQZXKILNQHADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2/c1-5-15-47(16-6-1)52-29-37-58(38-30-52)67(59-39-31-53(32-40-59)48-17-7-2-8-18-48)60-41-33-54(34-42-60)51-25-27-55(28-26-51)61-23-13-14-24-64(61)68-65-43-35-56(49-19-9-3-10-20-49)45-62(65)63-46-57(36-44-66(63)68)50-21-11-4-12-22-50/h1-46,61,64H.
What are the key properties of N-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 869.12 g/mol, XLogP of 18.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[6-(3,6-diphenylcarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166876353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).