1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide

C38H24N2O4 — CID 56956594

IUPAC1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide
SMILESO=C(/N=c1\oc2ccccc2cc1-c1ccccc1)c1ccc(C(=O)/N=c2\oc3ccccc3cc2-c2ccccc2)cc1
InChIInChI=1S/C38H24N2O4/c41-35(39-37-31(25-11-3-1-4-12-25)23-29-15-7-9-17-33(29)43-37)27-19-21-28(22-20-27)36(42)40-38-32(26-13-5-2-6-14-26)24-30-16-8-10-18-34(30)44-38/h1-24H/b39-37-,40-38-
InChIKeyLJRHXMZCBFIEBQ-YKSAKOAQSA-N
MW572.62 g/mol
LogP8.00
Rot. Bonds4

About 1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide

1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide (PubChem CID 56956594) has the molecular formula C38H24N2O4 and a molecular weight of 572.62 g/mol. Its IUPAC name is 1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide
PubChem CID56956594
Molecular FormulaC38H24N2O4
Molecular Weight572.62 g/mol
Exact Mass572.17
IUPAC Name1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide
SMILESO=C(/N=c1\oc2ccccc2cc1-c1ccccc1)c1ccc(C(=O)/N=c2\oc3ccccc3cc2-c2ccccc2)cc1
InChIInChI=1S/C38H24N2O4/c41-35(39-37-31(25-11-3-1-4-12-25)23-29-15-7-9-17-33(29)43-37)27-19-21-28(22-20-27)36(42)40-38-32(26-13-5-2-6-14-26)24-30-16-8-10-18-34(30)44-38/h1-24H/b39-37-,40-38-
InChIKeyLJRHXMZCBFIEBQ-YKSAKOAQSA-N
XLogP8.00
TPSA85.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.62
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3-diphenylchromen-2-imine
CID 135029902
3-phenylchromen-2-one;hydrochloride
CID 141206894
4-(2-oxochromen-3-yl)benzoate
CID 4249737
(2Z)-2-hydroxyiminochromene-3-carboxylic acid
CID 97302642
N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887
1-(1-benzofuran-2-yl)ethanone
CID 15435
(2S)-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]propanoic acid
CID 7095122
4-[[3-(2-oxochromen-3-yl)benzoyl]amino]benzoic acid
CID 28675540
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23995291
4-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4243574
2-[chloro-(2-phenylphenyl)methyl]-1-benzofuran
CID 70351350
N-(2-phenylphenyl)sulfinyl-1-benzofuran-2-carboxamide
CID 155244834

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide (CID 56956594) is 1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide is O=C(/N=c1\oc2ccccc2cc1-c1ccccc1)c1ccc(C(=O)/N=c2\oc3ccccc3cc2-c2ccccc2)cc1.
What is the InChIKey of 1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide?
The InChIKey is LJRHXMZCBFIEBQ-YKSAKOAQSA-N. The full InChI is InChI=1S/C38H24N2O4/c41-35(39-37-31(25-11-3-1-4-12-25)23-29-15-7-9-17-33(29)43-37)27-19-21-28(22-20-27)36(42)40-38-32(26-13-5-2-6-14-26)24-30-16-8-10-18-34(30)44-38/h1-24H/b39-37-,40-38-.
What are the key properties of 1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide?
1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide has a molecular weight of 572.62 g/mol, XLogP of 8.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(3-phenylchromen-2-ylidene)benzene-1,4-dicarboxamide is sourced from PubChem (CID 56956594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).