N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine

C34H26N2 — CID 155034554

IUPACN-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine
SMILESC1=CCCC(N(c2ccccc2)c2cccc3ccc4c5ccccc5n(-c5ccccc5)c4c23)=C1
InChIInChI=1S/C34H26N2/c1-4-14-26(15-5-1)35(27-16-6-2-7-17-27)32-22-12-13-25-23-24-30-29-20-10-11-21-31(29)36(34(30)33(25)32)28-18-8-3-9-19-28/h1-6,8-16,18-24H,7,17H2
InChIKeyNUXWIWUSHOOPBG-UHFFFAOYSA-N
MW462.60 g/mol
LogP9.31
Rot. Bonds4

About N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine

N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine (PubChem CID 155034554) has the molecular formula C34H26N2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine
PubChem CID155034554
Molecular FormulaC34H26N2
Molecular Weight462.60 g/mol
Exact Mass462.21
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine
SMILESC1=CCCC(N(c2ccccc2)c2cccc3ccc4c5ccccc5n(-c5ccccc5)c4c23)=C1
InChIInChI=1S/C34H26N2/c1-4-14-26(15-5-1)35(27-16-6-2-7-17-27)32-22-12-13-25-23-24-30-29-20-10-11-21-31(29)36(34(30)33(25)32)28-18-8-3-9-19-28/h1-6,8-16,18-24H,7,17H2
InChIKeyNUXWIWUSHOOPBG-UHFFFAOYSA-N
XLogP9.31
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine
CID 129170977
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenylcarbazol-1-amine
CID 170034449
N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-1-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-2-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 163713790
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine
CID 167182825
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazol-3-amine
CID 89163979
N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
CID 90050790
N-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721760
N-phenanthren-2-yl-N,3-diphenyl-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-6-amine
CID 176722974
N-phenyl-9-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-1-amine
CID 176795959
N-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721890
12-cyclohexa-1,3-dien-1-yl-5-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 170206804

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine (CID 155034554) is N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine is C1=CCCC(N(c2ccccc2)c2cccc3ccc4c5ccccc5n(-c5ccccc5)c4c23)=C1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine?
The InChIKey is NUXWIWUSHOOPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2/c1-4-14-26(15-5-1)35(27-16-6-2-7-17-27)32-22-12-13-25-23-24-30-29-20-10-11-21-31(29)36(34(30)33(25)32)28-18-8-3-9-19-28/h1-6,8-16,18-24H,7,17H2.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine?
N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine has a molecular weight of 462.60 g/mol, XLogP of 9.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine is sourced from PubChem (CID 155034554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).