1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole

C33H28N2 — CID 142929750

IUPAC1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole
SMILESC=C1Cc2ccccc2N1c1ccc(-c2ccc(N3/C(=C/C=C\C)Cc4ccccc43)cc2)cc1
InChIInChI=1S/C33H28N2/c1-3-4-11-31-23-28-10-6-8-13-33(28)35(31)30-20-16-26(17-21-30)25-14-18-29(19-15-25)34-24(2)22-27-9-5-7-12-32(27)34/h3-21H,2,22-23H2,1H3/b4-3-,31-11+
InChIKeyJFTFQZGESONBSS-KBQJIJJBSA-N
MW452.60 g/mol
LogP8.72
Rot. Bonds4

About 1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole

1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole (PubChem CID 142929750) has the molecular formula C33H28N2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole.

Molecular Properties

Compound Name1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole
PubChem CID142929750
Molecular FormulaC33H28N2
Molecular Weight452.60 g/mol
Exact Mass452.23
IUPAC Name1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole
SMILESC=C1Cc2ccccc2N1c1ccc(-c2ccc(N3/C(=C/C=C\C)Cc4ccccc43)cc2)cc1
InChIInChI=1S/C33H28N2/c1-3-4-11-31-23-28-10-6-8-13-33(28)35(31)30-20-16-26(17-21-30)25-14-18-29(19-15-25)34-24(2)22-27-9-5-7-12-32(27)34/h3-21H,2,22-23H2,1H3/b4-3-,31-11+
InChIKeyJFTFQZGESONBSS-KBQJIJJBSA-N
XLogP8.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole?
The IUPAC name of 1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole (CID 142929750) is 1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole.
What is the SMILES notation for 1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole?
The canonical SMILES for 1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole is C=C1Cc2ccccc2N1c1ccc(-c2ccc(N3/C(=C/C=C\C)Cc4ccccc43)cc2)cc1.
What is the InChIKey of 1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole?
The InChIKey is JFTFQZGESONBSS-KBQJIJJBSA-N. The full InChI is InChI=1S/C33H28N2/c1-3-4-11-31-23-28-10-6-8-13-33(28)35(31)30-20-16-26(17-21-30)25-14-18-29(19-15-25)34-24(2)22-27-9-5-7-12-32(27)34/h3-21H,2,22-23H2,1H3/b4-3-,31-11+.
What are the key properties of 1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole?
1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole has a molecular weight of 452.60 g/mol, XLogP of 8.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2E)-2-[(Z)-but-2-enylidene]-3H-indol-1-yl]phenyl]phenyl]-2-methylidene-3H-indole is sourced from PubChem (CID 142929750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).