9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole

C52H38N2 — CID 59383702

IUPAC9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole
SMILESCc1ccccc1-n1c2ccccc2c2cc(-c3ccc(/C=C/c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5C)cc4)cc3)ccc21
InChIInChI=1S/C52H38N2/c1-35-11-3-7-15-47(35)53-49-17-9-5-13-43(49)45-33-41(29-31-51(45)53)39-25-21-37(22-26-39)19-20-38-23-27-40(28-24-38)42-30-32-52-46(34-42)44-14-6-10-18-50(44)54(52)48-16-8-4-12-36(48)2/h3-34H,1-2H3/b20-19+
InChIKeyLRCMXEHHXXXWHJ-FMQUCBEESA-N
MW690.89 g/mol
LogP14.00
Rot. Bonds6

About 9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole

9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole (PubChem CID 59383702) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is 9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole
PubChem CID59383702
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC Name9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole
SMILESCc1ccccc1-n1c2ccccc2c2cc(-c3ccc(/C=C/c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5C)cc4)cc3)ccc21
InChIInChI=1S/C52H38N2/c1-35-11-3-7-15-47(35)53-49-17-9-5-13-43(49)45-33-41(29-31-51(45)53)39-25-21-37(22-26-39)19-20-38-23-27-40(28-24-38)42-30-32-52-46(34-42)44-14-6-10-18-50(44)54(52)48-16-8-4-12-36(48)2/h3-34H,1-2H3/b20-19+
InChIKeyLRCMXEHHXXXWHJ-FMQUCBEESA-N
XLogP14.00
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.89
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-carbazol-9-ylphenyl)-9-(2-methylphenyl)carbazole
CID 164986167
3-(4-benzylphenyl)-9-(2-methylphenyl)carbazole
CID 157348806
3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole
CID 59307119
3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole
CID 59383733
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(4-methylphenyl)-3,6-diphenylcarbazole;9-(2-methylphenyl)-3-phenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 161360746
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
3-[4-[(E)-2-[4-(3-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-9-(4-methylphenyl)carbazole
CID 59383633
9-(2-methyl-4-phenylphenyl)carbazole
CID 143868574
9-[4-[2-[4-[4-[2-(4-carbazol-9-yl-3-fluorophenyl)ethenyl]phenyl]phenyl]ethenyl]-2-fluorophenyl]carbazole
CID 164577680
3-methyl-9-(2-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-methyl-9-(4-methylphenyl)-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole;3-[9-(2-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 161215741
9-[4-[4-[4-[4-(4-carbazol-9-yl-3-methylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59742225
3-[2-[(E)-2-[4-(2-carbazol-9-yl-4,5-dimethylphenyl)phenyl]ethenyl]phenyl]-9-phenylcarbazole;3-[2-[(E)-2-[4-(2-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-6-methyl-9-phenylcarbazole;3-[2-[(E)-2-[4-(2-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-9-(2-methylphenyl)carbazole;3-[2-[(E)-2-[4-(2-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-9-(3-methylphenyl)carbazole;3-[2-[(E)-2-[4-(2-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-9-(4-methylphenyl)carbazole;3,6-dimethyl-9-[3-methyl-5-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]phenyl]carbazole;3,6-dimethyl-9-[2-[4-[(E)-2-[2-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]phenyl]carbazole
CID 157183267

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole?
The IUPAC name of 9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole (CID 59383702) is 9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole.
What is the SMILES notation for 9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole?
The canonical SMILES for 9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole is Cc1ccccc1-n1c2ccccc2c2cc(-c3ccc(/C=C/c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5C)cc4)cc3)ccc21.
What is the InChIKey of 9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole?
The InChIKey is LRCMXEHHXXXWHJ-FMQUCBEESA-N. The full InChI is InChI=1S/C52H38N2/c1-35-11-3-7-15-47(35)53-49-17-9-5-13-43(49)45-33-41(29-31-51(45)53)39-25-21-37(22-26-39)19-20-38-23-27-40(28-24-38)42-30-32-52-46(34-42)44-14-6-10-18-50(44)54(52)48-16-8-4-12-36(48)2/h3-34H,1-2H3/b20-19+.
What are the key properties of 9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole?
9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole has a molecular weight of 690.89 g/mol, XLogP of 14.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylphenyl)-3-[4-[(E)-2-[4-[9-(2-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]carbazole is sourced from PubChem (CID 59383702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).