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

C66H49N3 — CID 166723421

IUPACN-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline
SMILESC1=CC(c2ccc(N(C3=CC=C(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)CC3)c3ccccc3)cc2)CC=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C66H49N3/c1-4-14-54(15-5-1)67(57-38-32-48(33-39-57)46-24-28-50(29-25-46)52-36-42-65-61(44-52)59-20-10-12-22-63(59)68(65)55-16-6-2-7-17-55)58-40-34-49(35-41-58)47-26-30-51(31-27-47)53-37-43-66-62(45-53)60-21-11-13-23-64(60)69(66)56-18-8-3-9-19-56/h1-26,28-32,34-38,40-45,47H,27,33,39H2
InChIKeyVAOPPTAIMFJTRE-UHFFFAOYSA-N
MW884.14 g/mol
LogP17.57
Rot. Bonds9

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

N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline (PubChem CID 166723421) has the molecular formula C66H49N3 and a molecular weight of 884.14 g/mol. Its IUPAC name is N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline.

Molecular Properties

Compound NameN-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline
PubChem CID166723421
Molecular FormulaC66H49N3
Molecular Weight884.14 g/mol
Exact Mass883.39
IUPAC NameN-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline
SMILESC1=CC(c2ccc(N(C3=CC=C(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)CC3)c3ccccc3)cc2)CC=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C66H49N3/c1-4-14-54(15-5-1)67(57-38-32-48(33-39-57)46-24-28-50(29-25-46)52-36-42-65-61(44-52)59-20-10-12-22-63(59)68(65)55-16-6-2-7-17-55)58-40-34-49(35-41-58)47-26-30-51(31-27-47)53-37-43-66-62(45-53)60-21-11-13-23-64(60)69(66)56-18-8-3-9-19-56/h1-26,28-32,34-38,40-45,47H,27,33,39H2
InChIKeyVAOPPTAIMFJTRE-UHFFFAOYSA-N
XLogP17.57
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.14
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline with MolForge

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Related Compounds

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CID 126598546
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]cyclohexa-1,5-dien-1-yl]fluoren-2-amine
CID 163616373
9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 145377441
N-phenyl-N-[4-[9-phenyl-1-[4-(9-phenyl-2,3-dihydrocarbazol-3-yl)phenyl]carbazol-3-yl]cyclohexa-1,3-dien-1-yl]aniline
CID 145060242
N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
CID 163564194
5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-N-[3-[4-[4-(N-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(N-(4-phenylphenyl)anilino)phenyl]anilino)phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-diphenylbenzene-1,3-diamine
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CID 146739717
N,9-diphenyl-N-[4-[4-[2-phenyl-2-(9-phenylcarbazol-3-yl)ethyl]cyclohexa-2,4-dien-1-yl]phenyl]carbazol-3-amine
CID 123492493
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
2-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]aniline
CID 167194962

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline?
The IUPAC name of N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline (CID 166723421) is N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline.
What is the SMILES notation for N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline?
The canonical SMILES for N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline is C1=CC(c2ccc(N(C3=CC=C(c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)CC3)c3ccccc3)cc2)CC=C1c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline?
The InChIKey is VAOPPTAIMFJTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49N3/c1-4-14-54(15-5-1)67(57-38-32-48(33-39-57)46-24-28-50(29-25-46)52-36-42-65-61(44-52)59-20-10-12-22-63(59)68(65)55-16-6-2-7-17-55)58-40-34-49(35-41-58)47-26-30-51(31-27-47)53-37-43-66-62(45-53)60-21-11-13-23-64(60)69(66)56-18-8-3-9-19-56/h1-26,28-32,34-38,40-45,47H,27,33,39H2.
What are the key properties of N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline?
N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline has a molecular weight of 884.14 g/mol, XLogP of 17.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[4-(9-phenylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]cyclohexa-1,3-dien-1-yl]aniline is sourced from PubChem (CID 166723421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).