ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole

C102H157N3 — CID 163448918

IUPACethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole
SMILESC=C/C=C/CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.C=C/C=C/CCc1ccc(N(c2ccccc2)c2ccccc2)cc1.C=C/C=C/CCc1cccc(N(c2ccccc2)c2ccccc2)c1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C24H21N.2C24H23N.15C2H6/c1-2-3-4-5-10-19-15-17-20(18-16-19)25-23-13-8-6-11-21(23)22-12-7-9-14-24(22)25;1-2-3-4-7-13-21-14-12-19-24(20-21)25(22-15-8-5-9-16-22)23-17-10-6-11-18-23;1-2-3-4-7-12-21-17-19-24(20-18-21)25(22-13-8-5-9-14-22)23-15-10-6-11-16-23;15*1-2/h2-4,6-9,11-18H,1,5,10H2;2-6,8-12,14-20H,1,7,13H2;2-6,8-11,13-20H,1,7,12H2;15*1-2H3/b3*4-3+;;;;;;;;;;;;;;;
InChIKeyBEXLIIVOIGAKDV-AJENKTEESA-N
MW1425.40 g/mol
LogP35.51
Rot. Bonds19

About ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole

ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole (PubChem CID 163448918) has the molecular formula C102H157N3 and a molecular weight of 1425.40 g/mol. Its IUPAC name is ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole.

Molecular Properties

Compound Nameethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole
PubChem CID163448918
Molecular FormulaC102H157N3
Molecular Weight1425.40 g/mol
Exact Mass1424.24
IUPAC Nameethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole
SMILESC=C/C=C/CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.C=C/C=C/CCc1ccc(N(c2ccccc2)c2ccccc2)cc1.C=C/C=C/CCc1cccc(N(c2ccccc2)c2ccccc2)c1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C24H21N.2C24H23N.15C2H6/c1-2-3-4-5-10-19-15-17-20(18-16-19)25-23-13-8-6-11-21(23)22-12-7-9-14-24(22)25;1-2-3-4-7-13-21-14-12-19-24(20-21)25(22-15-8-5-9-16-22)23-17-10-6-11-18-23;1-2-3-4-7-12-21-17-19-24(20-18-21)25(22-13-8-5-9-14-22)23-15-10-6-11-16-23;15*1-2/h2-4,6-9,11-18H,1,5,10H2;2-6,8-12,14-20H,1,7,13H2;2-6,8-11,13-20H,1,7,12H2;15*1-2H3/b3*4-3+;;;;;;;;;;;;;;;
InChIKeyBEXLIIVOIGAKDV-AJENKTEESA-N
XLogP35.51
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001425.40
LogP ≤ 535.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole with MolForge

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Related Compounds

4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline
CID 76557056
6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 147484515
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 159948060

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole?
The IUPAC name of ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole (CID 163448918) is ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole.
What is the SMILES notation for ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole?
The canonical SMILES for ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole is C=C/C=C/CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.C=C/C=C/CCc1ccc(N(c2ccccc2)c2ccccc2)cc1.C=C/C=C/CCc1cccc(N(c2ccccc2)c2ccccc2)c1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole?
The InChIKey is BEXLIIVOIGAKDV-AJENKTEESA-N. The full InChI is InChI=1S/C24H21N.2C24H23N.15C2H6/c1-2-3-4-5-10-19-15-17-20(18-16-19)25-23-13-8-6-11-21(23)22-12-7-9-14-24(22)25;1-2-3-4-7-13-21-14-12-19-24(20-21)25(22-15-8-5-9-16-22)23-17-10-6-11-18-23;1-2-3-4-7-12-21-17-19-24(20-18-21)25(22-13-8-5-9-14-22)23-15-10-6-11-16-23;15*1-2/h2-4,6-9,11-18H,1,5,10H2;2-6,8-12,14-20H,1,7,13H2;2-6,8-11,13-20H,1,7,12H2;15*1-2H3/b3*4-3+;;;;;;;;;;;;;;;.
What are the key properties of ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole?
ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole has a molecular weight of 1425.40 g/mol, XLogP of 35.51, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;4-[(3E)-hexa-3,5-dienyl]-N,N-diphenylaniline;9-[4-[(3E)-hexa-3,5-dienyl]phenyl]carbazole is sourced from PubChem (CID 163448918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).