4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline

C37H32N2 — CID 144631351

IUPAC4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline
SMILESC=C/C=C(\CC)N(C)c1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C37H32N2/c1-4-13-29(5-2)38(3)30-24-22-27(23-25-30)32-16-6-7-17-33(32)28-14-12-15-31(26-28)39-36-20-10-8-18-34(36)35-19-9-11-21-37(35)39/h4,6-26H,1,5H2,2-3H3/b29-13+
InChIKeyYQISTZPLQVIZTQ-VFLNYLIXSA-N
MW504.68 g/mol
LogP10.03
Rot. Bonds7

About 4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline

4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline (PubChem CID 144631351) has the molecular formula C37H32N2 and a molecular weight of 504.68 g/mol. Its IUPAC name is 4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline
PubChem CID144631351
Molecular FormulaC37H32N2
Molecular Weight504.68 g/mol
Exact Mass504.26
IUPAC Name4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline
SMILESC=C/C=C(\CC)N(C)c1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C37H32N2/c1-4-13-29(5-2)38(3)30-24-22-27(23-25-30)32-16-6-7-17-33(32)28-14-12-15-31(26-28)39-36-20-10-8-18-34(36)35-19-9-11-21-37(35)39/h4,6-26H,1,5H2,2-3H3/b29-13+
InChIKeyYQISTZPLQVIZTQ-VFLNYLIXSA-N
XLogP10.03
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.68
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231
N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161173154
4-[3-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118901543
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[3-(2-phenylphenyl)phenyl]carbazole
CID 165386034
N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90125897
N-[4-(3-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]-4-naphthalen-1-ylaniline
CID 170225174
ethane;[(2E)-penta-2,4-dien-2-yl]benzene;9-[3-[8-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 144644357
2-(2-phenylphenyl)-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 170072989
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-N-phenylaniline
CID 153314587
4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline
CID 174245460
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 122659667

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline?
The IUPAC name of 4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline (CID 144631351) is 4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline.
What is the SMILES notation for 4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline?
The canonical SMILES for 4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline is C=C/C=C(\CC)N(C)c1ccc(-c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline?
The InChIKey is YQISTZPLQVIZTQ-VFLNYLIXSA-N. The full InChI is InChI=1S/C37H32N2/c1-4-13-29(5-2)38(3)30-24-22-27(23-25-30)32-16-6-7-17-33(32)28-14-12-15-31(26-28)39-36-20-10-8-18-34(36)35-19-9-11-21-37(35)39/h4,6-26H,1,5H2,2-3H3/b29-13+.
What are the key properties of 4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline?
4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline has a molecular weight of 504.68 g/mol, XLogP of 10.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-carbazol-9-ylphenyl)phenyl]-N-[(3E)-hexa-3,5-dien-3-yl]-N-methylaniline is sourced from PubChem (CID 144631351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).