3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole

C53H40N2 — CID 59383733

IUPAC3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc(/C=C/c5ccc(-c6ccc(-n7c8ccc(C)cc8c8cc(C)ccc87)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C53H40N2/c1-35-8-25-44(26-9-35)54-50-7-5-4-6-46(50)49-34-43(24-31-53(49)54)42-20-16-39(17-21-42)13-12-38-14-18-40(19-15-38)41-22-27-45(28-23-41)55-51-29-10-36(2)32-47(51)48-33-37(3)11-30-52(48)55/h4-34H,1-3H3/b13-12+
InChIKeyGWSPQQWCUIPBTF-OUKQBFOZSA-N
MW704.92 g/mol
LogP14.31
Rot. Bonds6

About 3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole

3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole (PubChem CID 59383733) has the molecular formula C53H40N2 and a molecular weight of 704.92 g/mol. Its IUPAC name is 3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole
PubChem CID59383733
Molecular FormulaC53H40N2
Molecular Weight704.92 g/mol
Exact Mass704.32
IUPAC Name3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc(/C=C/c5ccc(-c6ccc(-n7c8ccc(C)cc8c8cc(C)ccc87)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C53H40N2/c1-35-8-25-44(26-9-35)54-50-7-5-4-6-46(50)49-34-43(24-31-53(49)54)42-20-16-39(17-21-42)13-12-38-14-18-40(19-15-38)41-22-27-45(28-23-41)55-51-29-10-36(2)32-47(51)48-33-37(3)11-30-52(48)55/h4-34H,1-3H3/b13-12+
InChIKeyGWSPQQWCUIPBTF-OUKQBFOZSA-N
XLogP14.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.92
LogP ≤ 514.31
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-[4-[(E)-2-[4-(3-carbazol-9-ylphenyl)phenyl]ethenyl]phenyl]-9-(4-methylphenyl)carbazole
CID 59383633
9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole
CID 140923989
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160753219
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
3-[3-[3-(4-methylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 67964803
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole?
The IUPAC name of 3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole (CID 59383733) is 3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc(/C=C/c5ccc(-c6ccc(-n7c8ccc(C)cc8c8cc(C)ccc87)cc6)cc5)cc4)ccc32)cc1.
What is the InChIKey of 3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole?
The InChIKey is GWSPQQWCUIPBTF-OUKQBFOZSA-N. The full InChI is InChI=1S/C53H40N2/c1-35-8-25-44(26-9-35)54-50-7-5-4-6-46(50)49-34-43(24-31-53(49)54)42-20-16-39(17-21-42)13-12-38-14-18-40(19-15-38)41-22-27-45(28-23-41)55-51-29-10-36(2)32-47(51)48-33-37(3)11-30-52(48)55/h4-34H,1-3H3/b13-12+.
What are the key properties of 3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole?
3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole has a molecular weight of 704.92 g/mol, XLogP of 14.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-[4-[4-[(E)-2-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]ethenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 59383733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).