N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine

C54H40N2O — CID 175631019

IUPACN-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine
SMILESC1=CC(C2=CCC(c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)C=C2)=CCC1
InChIInChI=1S/C54H40N2O/c1-3-12-37(13-4-1)38-22-24-39(25-23-38)40-26-30-43(31-27-40)55(44-32-28-41(29-33-44)46-18-11-19-49-48-17-8-10-21-53(48)57-54(46)49)45-34-35-52-50(36-45)47-16-7-9-20-51(47)56(52)42-14-5-2-6-15-42/h2-3,5-24,26-36,39H,1,4,25H2
InChIKeyGFKBEQWGOHTMPM-UHFFFAOYSA-N
MW732.93 g/mol
LogP15.07
Rot. Bonds7

About N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine

N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine (PubChem CID 175631019) has the molecular formula C54H40N2O and a molecular weight of 732.93 g/mol. Its IUPAC name is N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine
PubChem CID175631019
Molecular FormulaC54H40N2O
Molecular Weight732.93 g/mol
Exact Mass732.31
IUPAC NameN-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine
SMILESC1=CC(C2=CCC(c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)C=C2)=CCC1
InChIInChI=1S/C54H40N2O/c1-3-12-37(13-4-1)38-22-24-39(25-23-38)40-26-30-43(31-27-40)55(44-32-28-41(29-33-44)46-18-11-19-49-48-17-8-10-21-53(48)57-54(46)49)45-34-35-52-50(36-45)47-16-7-9-20-51(47)56(52)42-14-5-2-6-15-42/h2-3,5-24,26-36,39H,1,4,25H2
InChIKeyGFKBEQWGOHTMPM-UHFFFAOYSA-N
XLogP15.07
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
4-N-[4-(6,7-dihydrodibenzofuran-4-yl)phenyl]-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 70671807
N-(3-carbazol-9-ylphenyl)-N-[4-(4-phenylcyclohexa-1,5-dien-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 167278207
N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline
CID 156558918
1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 118402476
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]fluorene-2,7-diamine
CID 158626381
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
N-(4-dibenzofuran-4-ylphenyl)-N-methyl-9-phenylcarbazol-3-amine
CID 126631479
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 167114371

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine (CID 175631019) is N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine is C1=CC(C2=CCC(c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)C=C2)=CCC1.
What is the InChIKey of N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine?
The InChIKey is GFKBEQWGOHTMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2O/c1-3-12-37(13-4-1)38-22-24-39(25-23-38)40-26-30-43(31-27-40)55(44-32-28-41(29-33-44)46-18-11-19-49-48-17-8-10-21-53(48)57-54(46)49)45-34-35-52-50(36-45)47-16-7-9-20-51(47)56(52)42-14-5-2-6-15-42/h2-3,5-24,26-36,39H,1,4,25H2.
What are the key properties of N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine?
N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine has a molecular weight of 732.93 g/mol, XLogP of 15.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 175631019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).