1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine

C32H26N4 — CID 177388523

IUPAC1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine
SMILESC(=N/c1ccc(CCc2ccc(/N=C/c3c[nH]c4ccccc34)cc2)cc1)\c1c[nH]c2ccccc12
InChIInChI=1S/C32H26N4/c1-3-7-31-29(5-1)25(21-35-31)19-33-27-15-11-23(12-16-27)9-10-24-13-17-28(18-14-24)34-20-26-22-36-32-8-4-2-6-30(26)32/h1-8,11-22,35-36H,9-10H2/b33-19+,34-20+
InChIKeyOQTOOQYJMDBXHJ-ZXHXELASSA-N
MW466.59 g/mol
LogP7.94
Rot. Bonds7

About 1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine

1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine (PubChem CID 177388523) has the molecular formula C32H26N4 and a molecular weight of 466.59 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine
PubChem CID177388523
Molecular FormulaC32H26N4
Molecular Weight466.59 g/mol
Exact Mass466.22
IUPAC Name1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine
SMILESC(=N/c1ccc(CCc2ccc(/N=C/c3c[nH]c4ccccc34)cc2)cc1)\c1c[nH]c2ccccc12
InChIInChI=1S/C32H26N4/c1-3-7-31-29(5-1)25(21-35-31)19-33-27-15-11-23(12-16-27)9-10-24-13-17-28(18-14-24)34-20-26-22-36-32-8-4-2-6-30(26)32/h1-8,11-22,35-36H,9-10H2/b33-19+,34-20+
InChIKeyOQTOOQYJMDBXHJ-ZXHXELASSA-N
XLogP7.94
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 57.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine with MolForge

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Related Compounds

1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 3459519
[3-(1H-indol-3-ylmethylideneamino)phenyl]methanol
CID 681868
1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 135719312
1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine
CID 3742458
2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid
CID 139080072
2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
CID 135440137
2-(1H-indol-3-ylmethylideneamino)benzonitrile
CID 686965
N-(1H-indol-3-yl)-1-[2-(1H-indol-3-yliminomethyl)phenyl]methanimine
CID 66551006
N-phenyl-1-[1-(phenyliminomethyl)-3,8-dihydroindolo[7,6-g]indol-6-yl]methanimine
CID 135686999
(E)-3-(4-ethoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one
CID 136798732
1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 71329126
N-(2,5-dimethylphenyl)-1-(1H-indol-3-yl)methanimine
CID 693741

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine?
The IUPAC name of 1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine (CID 177388523) is 1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine?
The canonical SMILES for 1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine is C(=N/c1ccc(CCc2ccc(/N=C/c3c[nH]c4ccccc34)cc2)cc1)\c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine?
The InChIKey is OQTOOQYJMDBXHJ-ZXHXELASSA-N. The full InChI is InChI=1S/C32H26N4/c1-3-7-31-29(5-1)25(21-35-31)19-33-27-15-11-23(12-16-27)9-10-24-13-17-28(18-14-24)34-20-26-22-36-32-8-4-2-6-30(26)32/h1-8,11-22,35-36H,9-10H2/b33-19+,34-20+.
What are the key properties of 1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine?
1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine has a molecular weight of 466.59 g/mol, XLogP of 7.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine is sourced from PubChem (CID 177388523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).