4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline

C43H33N3 — CID 145151690

IUPAC4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline
SMILESC=C/C(=C\C=C(/C)N(c1ccccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H33N3/c1-3-32(45-40-21-11-7-17-36(40)37-18-8-12-22-41(37)45)26-25-31(2)44(33-15-5-4-6-16-33)34-27-29-35(30-28-34)46-42-23-13-9-19-38(42)39-20-10-14-24-43(39)46/h3-30H,1H2,2H3/b31-25+,32-26+
InChIKeyLAZSEPZSIXKTNO-YESHOFFLSA-N
MW591.76 g/mol
LogP11.66
Rot. Bonds7

About 4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline

4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline (PubChem CID 145151690) has the molecular formula C43H33N3 and a molecular weight of 591.76 g/mol. Its IUPAC name is 4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline.

Molecular Properties

Compound Name4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline
PubChem CID145151690
Molecular FormulaC43H33N3
Molecular Weight591.76 g/mol
Exact Mass591.27
IUPAC Name4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline
SMILESC=C/C(=C\C=C(/C)N(c1ccccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C43H33N3/c1-3-32(45-40-21-11-7-17-36(40)37-18-8-12-22-41(37)45)26-25-31(2)44(33-15-5-4-6-16-33)34-27-29-35(30-28-34)46-42-23-13-9-19-38(42)39-20-10-14-24-43(39)46/h3-30H,1H2,2H3/b31-25+,32-26+
InChIKeyLAZSEPZSIXKTNO-YESHOFFLSA-N
XLogP11.66
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.76
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-[(3E)-penta-1,3-dien-3-yl]-5-phenylindolo[3,2-b]carbazole
CID 126538258
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
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N-[4-[4-[[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 144884698
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
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-[(3E)-hexa-1,3,5-trien-3-yl]carbazole
CID 142521204
1-(4-carbazol-9-ylphenyl)-1-phenylhydrazine
CID 146434356
23,23-dimethyl-N-[(2E)-5-methylhexa-2,4-dien-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-amine
CID 134382112
N-tert-butyl-4-carbazol-9-yl-N-phenylaniline
CID 59518240
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
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline?
The IUPAC name of 4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline (CID 145151690) is 4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline.
What is the SMILES notation for 4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline?
The canonical SMILES for 4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline is C=C/C(=C\C=C(/C)N(c1ccccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline?
The InChIKey is LAZSEPZSIXKTNO-YESHOFFLSA-N. The full InChI is InChI=1S/C43H33N3/c1-3-32(45-40-21-11-7-17-36(40)37-18-8-12-22-41(37)45)26-25-31(2)44(33-15-5-4-6-16-33)34-27-29-35(30-28-34)46-42-23-13-9-19-38(42)39-20-10-14-24-43(39)46/h3-30H,1H2,2H3/b31-25+,32-26+.
What are the key properties of 4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline?
4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline has a molecular weight of 591.76 g/mol, XLogP of 11.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-N-[(2E,4E)-5-carbazol-9-ylhepta-2,4,6-trien-2-yl]-N-phenylaniline is sourced from PubChem (CID 145151690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).