4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

C42H35N3 — CID 143216545

IUPAC4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESC1=CC(n2c3c(c4cc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc42)CCC=C3)=CCC1
InChIInChI=1S/C42H35N3/c1-5-15-32(16-6-1)43(33-17-7-2-8-18-33)36-25-27-37(28-26-36)44(34-19-9-3-10-20-34)38-29-30-42-40(31-38)39-23-13-14-24-41(39)45(42)35-21-11-4-12-22-35/h1-3,5-11,14-22,24-31H,4,12-13,23H2
InChIKeyUHLBRESICBZGME-UHFFFAOYSA-N
MW581.76 g/mol
LogP11.73
Rot. Bonds7

About 4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine

4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (PubChem CID 143216545) has the molecular formula C42H35N3 and a molecular weight of 581.76 g/mol. Its IUPAC name is 4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
PubChem CID143216545
Molecular FormulaC42H35N3
Molecular Weight581.76 g/mol
Exact Mass581.28
IUPAC Name4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
SMILESC1=CC(n2c3c(c4cc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc42)CCC=C3)=CCC1
InChIInChI=1S/C42H35N3/c1-5-15-32(16-6-1)43(33-17-7-2-8-18-33)36-25-27-37(28-26-36)44(34-19-9-3-10-20-34)38-29-30-42-40(31-38)39-23-13-14-24-41(39)45(42)35-21-11-4-12-22-35/h1-3,5-11,14-22,24-31H,4,12-13,23H2
InChIKeyUHLBRESICBZGME-UHFFFAOYSA-N
XLogP11.73
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.76
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine with MolForge

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Related Compounds

N-(4-fluorophenyl)-N-[4-[4-(4-fluoro-N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 129301071
N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine
CID 70904528
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine
CID 126636088
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline
CID 134504787
6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine
CID 170075570
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
5-(21-cyclohexa-1,5-dien-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-1-N,3-N-dinaphthalen-2-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 145370657
5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 145157990
benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline
CID 145407612
N-[4-[6,7-diphenyl-9-[4-(N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxalin-4-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 170245968
9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine
CID 135128967
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311526

Frequently Asked Questions

What is the IUPAC name of 4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine (CID 143216545) is 4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is C1=CC(n2c3c(c4cc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc42)CCC=C3)=CCC1.
What is the InChIKey of 4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
The InChIKey is UHLBRESICBZGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N3/c1-5-15-32(16-6-1)43(33-17-7-2-8-18-33)36-25-27-37(28-26-36)44(34-19-9-3-10-20-34)38-29-30-42-40(31-38)39-23-13-14-24-41(39)45(42)35-21-11-4-12-22-35/h1-3,5-11,14-22,24-31H,4,12-13,23H2.
What are the key properties of 4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine?
4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine has a molecular weight of 581.76 g/mol, XLogP of 11.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine is sourced from PubChem (CID 143216545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).