6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole

C32H26N2 — CID 174135571

IUPAC6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole
SMILESCc1ccc2c(c1)N=C(c1ccc(/C=C\c3ccc(C4=Nc5cc(C)ccc5C4)cc3)cc1)C2
InChIInChI=1S/C32H26N2/c1-21-3-11-27-19-31(33-29(27)17-21)25-13-7-23(8-14-25)5-6-24-9-15-26(16-10-24)32-20-28-12-4-22(2)18-30(28)34-32/h3-18H,19-20H2,1-2H3/b6-5-
InChIKeyQDYUUVDBSHXEHN-WAYWQWQTSA-N
MW438.57 g/mol
LogP7.83
Rot. Bonds4

About 6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole

6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole (PubChem CID 174135571) has the molecular formula C32H26N2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole.

Molecular Properties

Compound Name6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole
PubChem CID174135571
Molecular FormulaC32H26N2
Molecular Weight438.57 g/mol
Exact Mass438.21
IUPAC Name6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole
SMILESCc1ccc2c(c1)N=C(c1ccc(/C=C\c3ccc(C4=Nc5cc(C)ccc5C4)cc3)cc1)C2
InChIInChI=1S/C32H26N2/c1-21-3-11-27-19-31(33-29(27)17-21)25-13-7-23(8-14-25)5-6-24-9-15-26(16-10-24)32-20-28-12-4-22(2)18-30(28)34-32/h3-18H,19-20H2,1-2H3/b6-5-
InChIKeyQDYUUVDBSHXEHN-WAYWQWQTSA-N
XLogP7.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole?
The IUPAC name of 6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole (CID 174135571) is 6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole.
What is the SMILES notation for 6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole?
The canonical SMILES for 6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole is Cc1ccc2c(c1)N=C(c1ccc(/C=C\c3ccc(C4=Nc5cc(C)ccc5C4)cc3)cc1)C2.
What is the InChIKey of 6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole?
The InChIKey is QDYUUVDBSHXEHN-WAYWQWQTSA-N. The full InChI is InChI=1S/C32H26N2/c1-21-3-11-27-19-31(33-29(27)17-21)25-13-7-23(8-14-25)5-6-24-9-15-26(16-10-24)32-20-28-12-4-22(2)18-30(28)34-32/h3-18H,19-20H2,1-2H3/b6-5-.
What are the key properties of 6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole?
6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole has a molecular weight of 438.57 g/mol, XLogP of 7.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole is sourced from PubChem (CID 174135571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).