4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline

C54H38N4 — CID 163718884

IUPAC4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline
SMILESC=C/C(=C\C=C\n1c2ccccc2c2ccccc21)N(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C54H38N4/c1-2-38(16-15-37-55-49-23-9-3-17-43(49)44-18-4-10-24-50(44)55)56(39-29-33-41(34-30-39)57-51-25-11-5-19-45(51)46-20-6-12-26-52(46)57)40-31-35-42(36-32-40)58-53-27-13-7-21-47(53)48-22-8-14-28-54(48)58/h2-37H,1H2/b37-15+,38-16+
InChIKeyKPSZVDFDSXSJKI-SMXMXQJSSA-N
MW742.93 g/mol
LogP14.37
Rot. Bonds8

About 4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline

4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline (PubChem CID 163718884) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is 4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline.

Molecular Properties

Compound Name4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline
PubChem CID163718884
Molecular FormulaC54H38N4
Molecular Weight742.93 g/mol
Exact Mass742.31
IUPAC Name4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline
SMILESC=C/C(=C\C=C\n1c2ccccc2c2ccccc21)N(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C54H38N4/c1-2-38(16-15-37-55-49-23-9-3-17-43(49)44-18-4-10-24-50(44)55)56(39-29-33-41(34-30-39)57-51-25-11-5-19-45(51)46-20-6-12-26-52(46)57)40-31-35-42(36-32-40)58-53-27-13-7-21-47(53)48-22-8-14-28-54(48)58/h2-37H,1H2/b37-15+,38-16+
InChIKeyKPSZVDFDSXSJKI-SMXMXQJSSA-N
XLogP14.37
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.93
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-N-[4-[4-(N-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 58536455
N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline
CID 58536424
6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 118187193
4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline
CID 145151690
N-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]-4-propan-2-ylaniline
CID 143599075
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
2-[17-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)-21-methyl-10-phenyl-10,14,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-14-yl]xanthen-9-one
CID 142288517
1-(4-carbazol-9-ylphenyl)-1-phenylhydrazine
CID 146434356
(3E)-4-N-(3-carbazol-9-ylphenyl)-2-N-phenyl-2-N-pyridin-4-yl-4-N-(3-pyrido[4,3-b]indol-5-ylphenyl)hexa-1,3,5-triene-2,4-diamine
CID 87765514
9-ethenylcarbazole;dihydrochloride
CID 90094696
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline?
The IUPAC name of 4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline (CID 163718884) is 4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline.
What is the SMILES notation for 4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline?
The canonical SMILES for 4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline is C=C/C(=C\C=C\n1c2ccccc2c2ccccc21)N(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline?
The InChIKey is KPSZVDFDSXSJKI-SMXMXQJSSA-N. The full InChI is InChI=1S/C54H38N4/c1-2-38(16-15-37-55-49-23-9-3-17-43(49)44-18-4-10-24-50(44)55)56(39-29-33-41(34-30-39)57-51-25-11-5-19-45(51)46-20-6-12-26-52(46)57)40-31-35-42(36-32-40)58-53-27-13-7-21-47(53)48-22-8-14-28-54(48)58/h2-37H,1H2/b37-15+,38-16+.
What are the key properties of 4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline?
4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline has a molecular weight of 742.93 g/mol, XLogP of 14.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline is sourced from PubChem (CID 163718884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).