9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine

C30H26N2 — CID 166894516

IUPAC9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine
SMILESC1=Cc2c(c3ccc(NC4C=CC(c5ccccc5)=CC4)cc3n2-c2ccccc2)CC1
InChIInChI=1S/C30H26N2/c1-3-9-22(10-4-1)23-15-17-24(18-16-23)31-25-19-20-28-27-13-7-8-14-29(27)32(30(28)21-25)26-11-5-2-6-12-26/h1-6,8-12,14-17,19-21,24,31H,7,13,18H2
InChIKeyVPZYQAPLZDVTFC-UHFFFAOYSA-N
MW414.55 g/mol
LogP7.41
Rot. Bonds4

About 9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine

9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine (PubChem CID 166894516) has the molecular formula C30H26N2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine.

Molecular Properties

Compound Name9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine
PubChem CID166894516
Molecular FormulaC30H26N2
Molecular Weight414.55 g/mol
Exact Mass414.21
IUPAC Name9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine
SMILESC1=Cc2c(c3ccc(NC4C=CC(c5ccccc5)=CC4)cc3n2-c2ccccc2)CC1
InChIInChI=1S/C30H26N2/c1-3-9-22(10-4-1)23-15-17-24(18-16-23)31-25-19-20-28-27-13-7-8-14-29(27)32(30(28)21-25)26-11-5-2-6-12-26/h1-6,8-12,14-17,19-21,24,31H,7,13,18H2
InChIKeyVPZYQAPLZDVTFC-UHFFFAOYSA-N
XLogP7.41
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
CID 146356785
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
CID 134351479
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311306
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 118369414
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
11-phenyl-12-[3-[3-(12-phenyl-7,8-dihydroindolo[2,3-a]carbazol-11-yl)-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 88912475
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,23-decaene
CID 135192250

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine?
The IUPAC name of 9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine (CID 166894516) is 9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine?
The canonical SMILES for 9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine is C1=Cc2c(c3ccc(NC4C=CC(c5ccccc5)=CC4)cc3n2-c2ccccc2)CC1.
What is the InChIKey of 9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine?
The InChIKey is VPZYQAPLZDVTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2/c1-3-9-22(10-4-1)23-15-17-24(18-16-23)31-25-19-20-28-27-13-7-8-14-29(27)32(30(28)21-25)26-11-5-2-6-12-26/h1-6,8-12,14-17,19-21,24,31H,7,13,18H2.
What are the key properties of 9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine?
9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine has a molecular weight of 414.55 g/mol, XLogP of 7.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine is sourced from PubChem (CID 166894516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).