5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole

C30H24N2O4 — CID 176905162

IUPAC5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole
SMILESCOc1ccc(-n2c(/C=C/c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c3cc(OC)ccc32)cc1
InChIInChI=1S/C30H24N2O4/c1-35-25-15-13-23(14-16-25)31-28-19-17-26(36-2)20-27(28)30(22-9-11-24(12-10-22)32(33)34)29(31)18-8-21-6-4-3-5-7-21/h3-20H,1-2H3/b18-8+
InChIKeyHHSPIURZBAFHNQ-QGMBQPNBSA-N
MW476.53 g/mol
LogP7.39
Rot. Bonds7

About 5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole

5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole (PubChem CID 176905162) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is 5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole.

Molecular Properties

Compound Name5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole
PubChem CID176905162
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole
SMILESCOc1ccc(-n2c(/C=C/c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c3cc(OC)ccc32)cc1
InChIInChI=1S/C30H24N2O4/c1-35-25-15-13-23(14-16-25)31-28-19-17-26(36-2)20-27(28)30(22-9-11-24(12-10-22)32(33)34)29(31)18-8-21-6-4-3-5-7-21/h3-20H,1-2H3/b18-8+
InChIKeyHHSPIURZBAFHNQ-QGMBQPNBSA-N
XLogP7.39
TPSA66.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole?
The IUPAC name of 5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole (CID 176905162) is 5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole.
What is the SMILES notation for 5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole?
The canonical SMILES for 5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole is COc1ccc(-n2c(/C=C/c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c3cc(OC)ccc32)cc1.
What is the InChIKey of 5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole?
The InChIKey is HHSPIURZBAFHNQ-QGMBQPNBSA-N. The full InChI is InChI=1S/C30H24N2O4/c1-35-25-15-13-23(14-16-25)31-28-19-17-26(36-2)20-27(28)30(22-9-11-24(12-10-22)32(33)34)29(31)18-8-21-6-4-3-5-7-21/h3-20H,1-2H3/b18-8+.
What are the key properties of 5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole?
5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole has a molecular weight of 476.53 g/mol, XLogP of 7.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole is sourced from PubChem (CID 176905162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).