1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine

C52H38N4 — CID 145110358

IUPAC1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine
SMILESC1=CC(c2ccc(-c3ccccc3)c3c4cc(-c5ccccc5)ccc4n(N(c4ccc(-c5ccncc5)cc4)c4ccc(-c5ccncc5)cc4)c23)=CCC1
InChIInChI=1S/C52H38N4/c1-4-10-37(11-5-1)44-20-27-50-49(36-44)51-47(42-12-6-2-7-13-42)25-26-48(43-14-8-3-9-15-43)52(51)56(50)55(45-21-16-38(17-22-45)40-28-32-53-33-29-40)46-23-18-39(19-24-46)41-30-34-54-35-31-41/h1-2,4-8,10-36H,3,9H2
InChIKeyLIBIMHKBTDURPM-UHFFFAOYSA-N
MW718.90 g/mol
LogP13.59
Rot. Bonds8

About 1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine

1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine (PubChem CID 145110358) has the molecular formula C52H38N4 and a molecular weight of 718.90 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine
PubChem CID145110358
Molecular FormulaC52H38N4
Molecular Weight718.90 g/mol
Exact Mass718.31
IUPAC Name1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine
SMILESC1=CC(c2ccc(-c3ccccc3)c3c4cc(-c5ccccc5)ccc4n(N(c4ccc(-c5ccncc5)cc4)c4ccc(-c5ccncc5)cc4)c23)=CCC1
InChIInChI=1S/C52H38N4/c1-4-10-37(11-5-1)44-20-27-50-49(36-44)51-47(42-12-6-2-7-13-42)25-26-48(43-14-8-3-9-15-43)52(51)56(50)55(45-21-16-38(17-22-45)40-28-32-53-33-29-40)46-23-18-39(19-24-46)41-30-34-54-35-31-41/h1-2,4-8,10-36H,3,9H2
InChIKeyLIBIMHKBTDURPM-UHFFFAOYSA-N
XLogP13.59
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[2-(2-cyclohexa-1,5-dien-1-yl-6-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166876411
N-[4-[(1Z,3E)-1-aminopenta-1,3-dien-3-yl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,5-triphenylcarbazol-9-amine
CID 145110416
1-cyclohexa-1,5-dien-1-yl-3,6-diphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylcyclohexa-2,4-dien-1-yl)carbazol-9-amine
CID 145110258
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166876376
9-[2-cyclohexa-1,5-dien-1-yl-4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-3,6-diphenylcarbazole
CID 177276855
9-[4-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole
CID 177276905
4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010
N-[3-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170299190
3-cyclohexa-1,5-dien-1-yl-6-(9-ethenyl-6-phenylcarbazol-3-yl)-9-methylcarbazole
CID 163449855
3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine
CID 134275324

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine (CID 145110358) is 1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine is C1=CC(c2ccc(-c3ccccc3)c3c4cc(-c5ccccc5)ccc4n(N(c4ccc(-c5ccncc5)cc4)c4ccc(-c5ccncc5)cc4)c23)=CCC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine?
The InChIKey is LIBIMHKBTDURPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4/c1-4-10-37(11-5-1)44-20-27-50-49(36-44)51-47(42-12-6-2-7-13-42)25-26-48(43-14-8-3-9-15-43)52(51)56(50)55(45-21-16-38(17-22-45)40-28-32-53-33-29-40)46-23-18-39(19-24-46)41-30-34-54-35-31-41/h1-2,4-8,10-36H,3,9H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine?
1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine has a molecular weight of 718.90 g/mol, XLogP of 13.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-4,6-diphenyl-N,N-bis(4-pyridin-4-ylphenyl)carbazol-9-amine is sourced from PubChem (CID 145110358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).