9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole

C54H42N2 — CID 144875939

IUPAC9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole
SMILESC=C/C=C(\C)c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1.Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C29H23N.C25H19N/c1-3-10-21(2)23-15-17-28-26(19-23)27-20-24(22-11-6-4-7-12-22)16-18-29(27)30(28)25-13-8-5-9-14-25;1-18-13-15-19(16-14-18)20-7-6-8-21(17-20)26-24-11-4-2-9-22(24)23-10-3-5-12-25(23)26/h3-20H,1H2,2H3;2-17H,1H3/b21-10+;
InChIKeyJKLAPARAJHDQFD-FYEZMLSJSA-N
MW718.94 g/mol
LogP14.80
Rot. Bonds6

About 9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole

9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole (PubChem CID 144875939) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is 9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole
PubChem CID144875939
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC Name9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole
SMILESC=C/C=C(\C)c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1.Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C29H23N.C25H19N/c1-3-10-21(2)23-15-17-28-26(19-23)27-20-24(22-11-6-4-7-12-22)16-18-29(27)30(28)25-13-8-5-9-14-25;1-18-13-15-19(16-14-18)20-7-6-8-21(17-20)26-24-11-4-2-9-22(24)23-10-3-5-12-25(23)26/h3-20H,1H2,2H3;2-17H,1H3/b21-10+;
InChIKeyJKLAPARAJHDQFD-FYEZMLSJSA-N
XLogP14.80
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 514.80
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-penta-2,4-dien-2-yl-6,9-diphenylcarbazole
CID 123470872
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934
3-[3-[3-(4-methylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 67964803
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-[4-[(E)-2-[4-(3-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-9-(4-methylphenyl)carbazole
CID 59383633
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole?
The IUPAC name of 9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole (CID 144875939) is 9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole.
What is the SMILES notation for 9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole?
The canonical SMILES for 9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole is C=C/C=C(\C)c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1.Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole?
The InChIKey is JKLAPARAJHDQFD-FYEZMLSJSA-N. The full InChI is InChI=1S/C29H23N.C25H19N/c1-3-10-21(2)23-15-17-28-26(19-23)27-20-24(22-11-6-4-7-12-22)16-18-29(27)30(28)25-13-8-5-9-14-25;1-18-13-15-19(16-14-18)20-7-6-8-21(17-20)26-24-11-4-2-9-22(24)23-10-3-5-12-25(23)26/h3-20H,1H2,2H3;2-17H,1H3/b21-10+;.
What are the key properties of 9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole?
9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole has a molecular weight of 718.94 g/mol, XLogP of 14.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-methylphenyl)phenyl]carbazole;3-[(2E)-penta-2,4-dien-2-yl]-6,9-diphenylcarbazole is sourced from PubChem (CID 144875939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).