9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine

C78H60N4 — CID 88869766

IUPAC9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
SMILESC1=CCC(c2ccc(N(C3=Cc4c(c5ccccc5n4-c4ccc(-n5c6ccccc6c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc65)cc4)CC3)c3ccc(C4=CCCC=C4)cc3)cc2)C=C1
InChIInChI=1S/C78H60N4/c1-5-17-55(18-6-1)59-29-37-63(38-30-59)79(64-39-31-60(32-40-64)56-19-7-2-8-20-56)69-49-51-73-71-25-13-15-27-75(71)81(77(73)53-69)67-45-47-68(48-46-67)82-76-28-16-14-26-72(76)74-52-50-70(54-78(74)82)80(65-41-33-61(34-42-65)57-21-9-3-10-22-57)66-43-35-62(36-44-66)58-23-11-4-12-24-58/h1-3,5-11,13-21,23-49,51,53-54,57H,4,12,22,50,52H2
InChIKeyMXUAZXPGXJYLNI-UHFFFAOYSA-N
MW1053.37 g/mol
LogP20.99
Rot. Bonds12

About 9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine

9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine (PubChem CID 88869766) has the molecular formula C78H60N4 and a molecular weight of 1053.37 g/mol. Its IUPAC name is 9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
PubChem CID88869766
Molecular FormulaC78H60N4
Molecular Weight1053.37 g/mol
Exact Mass1052.48
IUPAC Name9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
SMILESC1=CCC(c2ccc(N(C3=Cc4c(c5ccccc5n4-c4ccc(-n5c6ccccc6c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc65)cc4)CC3)c3ccc(C4=CCCC=C4)cc3)cc2)C=C1
InChIInChI=1S/C78H60N4/c1-5-17-55(18-6-1)59-29-37-63(38-30-59)79(64-39-31-60(32-40-64)56-19-7-2-8-20-56)69-49-51-73-71-25-13-15-27-75(71)81(77(73)53-69)67-45-47-68(48-46-67)82-76-28-16-14-26-72(76)74-52-50-70(54-78(74)82)80(65-41-33-61(34-42-65)57-21-9-3-10-22-57)66-43-35-62(36-44-66)58-23-11-4-12-24-58/h1-3,5-11,13-21,23-49,51,53-54,57H,4,12,22,50,52H2
InChIKeyMXUAZXPGXJYLNI-UHFFFAOYSA-N
XLogP20.99
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.37
LogP ≤ 520.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine
CID 130453118
9-[9-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-(4-cyclohexa-2,4-dien-1-ylphenyl)-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-3-yl]-2-phenylcarbazole
CID 170282776
N-(4-carbazol-9-ylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-yl-10-phenylanthracen-2-yl)phenyl]-4-phenylaniline
CID 88572392
3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
CID 170002276
N,N,9-triphenyl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-2-amine
CID 130241442
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
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
CID 163798364
N-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-N-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138737604
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
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 170041721
5-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 163810856

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of 9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine (CID 88869766) is 9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine is C1=CCC(c2ccc(N(C3=Cc4c(c5ccccc5n4-c4ccc(-n5c6ccccc6c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc65)cc4)CC3)c3ccc(C4=CCCC=C4)cc3)cc2)C=C1.
What is the InChIKey of 9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine?
The InChIKey is MXUAZXPGXJYLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60N4/c1-5-17-55(18-6-1)59-29-37-63(38-30-59)79(64-39-31-60(32-40-64)56-19-7-2-8-20-56)69-49-51-73-71-25-13-15-27-75(71)81(77(73)53-69)67-45-47-68(48-46-67)82-76-28-16-14-26-72(76)74-52-50-70(54-78(74)82)80(65-41-33-61(34-42-65)57-21-9-3-10-22-57)66-43-35-62(36-44-66)58-23-11-4-12-24-58/h1-3,5-11,13-21,23-49,51,53-54,57H,4,12,22,50,52H2.
What are the key properties of 9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine?
9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine has a molecular weight of 1053.37 g/mol, XLogP of 20.99, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 88869766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).