N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C49H38N2 — CID 130181076

IUPACN-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC=C(/C=C\C(=C/C)n1c2ccccc2c2ccccc21)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C49H38N2/c1-3-42(51-48-20-12-10-18-46(48)47-19-11-13-21-49(47)51)29-22-36(2)37-23-30-43(31-24-37)50(44-32-25-40(26-33-44)38-14-6-4-7-15-38)45-34-27-41(28-35-45)39-16-8-5-9-17-39/h3-35H,2H2,1H3/b29-22-,42-3+
InChIKeyHRIGRXIJCMJTAD-OIJIHORVSA-N
MW654.86 g/mol
LogP13.73
Rot. Bonds9

About N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 130181076) has the molecular formula C49H38N2 and a molecular weight of 654.86 g/mol. Its IUPAC name is N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID130181076
Molecular FormulaC49H38N2
Molecular Weight654.86 g/mol
Exact Mass654.30
IUPAC NameN-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC=C(/C=C\C(=C/C)n1c2ccccc2c2ccccc21)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C49H38N2/c1-3-42(51-48-20-12-10-18-46(48)47-19-11-13-21-49(47)51)29-22-36(2)37-23-30-43(31-24-37)50(44-32-25-40(26-33-44)38-14-6-4-7-15-38)45-34-27-41(28-35-45)39-16-8-5-9-17-39/h3-35H,2H2,1H3/b29-22-,42-3+
InChIKeyHRIGRXIJCMJTAD-OIJIHORVSA-N
XLogP13.73
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.86
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]hexa-1,3,5-trien-2-yl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 76816177
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-prop-1-en-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 58568883
N-[4-[4-(20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]phenyl]-N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-4-phenylaniline
CID 142363433
[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 143067180
1-(3-carbazol-9-ylphenyl)-3-[(2E,4Z)-6-phenylhepta-2,4,6-trien-3-yl]quinazoline-2,4-dione
CID 156568725
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[(1E)-1-(2-methylphenyl)buta-1,3-dien-2-yl]phenyl]-4-phenylaniline
CID 170050294
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
3-[3-[9-[(2E,4Z)-hexa-2,4-dien-3-yl]carbazol-3-yl]-5-phenylphenyl]-9-phenylcarbazole
CID 129225827
3-(4-carbazol-9-ylphenyl)-N,N-bis(4-methylphenyl)-5-[(3Z,5E)-5-(1-phenylbenzimidazol-2-yl)hepta-1,3,5-trien-2-yl]aniline
CID 143976045
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 130181076) is N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is C=C(/C=C\C(=C/C)n1c2ccccc2c2ccccc21)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is HRIGRXIJCMJTAD-OIJIHORVSA-N. The full InChI is InChI=1S/C49H38N2/c1-3-42(51-48-20-12-10-18-46(48)47-19-11-13-21-49(47)51)29-22-36(2)37-23-30-43(31-24-37)50(44-32-25-40(26-33-44)38-14-6-4-7-15-38)45-34-27-41(28-35-45)39-16-8-5-9-17-39/h3-35H,2H2,1H3/b29-22-,42-3+.
What are the key properties of N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 654.86 g/mol, XLogP of 13.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3Z,5E)-5-carbazol-9-ylhepta-1,3,5-trien-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 130181076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).