4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine

C24H22N4OS — CID 54423063

IUPAC4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine
SMILESNc1ccc(S(=O)c2ccc(N)c(N)c2-c2ccccc2)c(-c2ccccc2)c1N
InChIInChI=1S/C24H22N4OS/c25-17-11-13-19(21(23(17)27)15-7-3-1-4-8-15)30(29)20-14-12-18(26)24(28)22(20)16-9-5-2-6-10-16/h1-14H,25-28H2
InChIKeyWCDOXYKPCZMPCZ-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.52
Rot. Bonds4

About 4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine

4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine (PubChem CID 54423063) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is 4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine
PubChem CID54423063
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC Name4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine
SMILESNc1ccc(S(=O)c2ccc(N)c(N)c2-c2ccccc2)c(-c2ccccc2)c1N
InChIInChI=1S/C24H22N4OS/c25-17-11-13-19(21(23(17)27)15-7-3-1-4-8-15)30(29)20-14-12-18(26)24(28)22(20)16-9-5-2-6-10-16/h1-14H,25-28H2
InChIKeyWCDOXYKPCZMPCZ-UHFFFAOYSA-N
XLogP4.52
TPSA121.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine?
The IUPAC name of 4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine (CID 54423063) is 4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine.
What is the SMILES notation for 4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine?
The canonical SMILES for 4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine is Nc1ccc(S(=O)c2ccc(N)c(N)c2-c2ccccc2)c(-c2ccccc2)c1N.
What is the InChIKey of 4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine?
The InChIKey is WCDOXYKPCZMPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c25-17-11-13-19(21(23(17)27)15-7-3-1-4-8-15)30(29)20-14-12-18(26)24(28)22(20)16-9-5-2-6-10-16/h1-14H,25-28H2.
What are the key properties of 4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine?
4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine has a molecular weight of 414.53 g/mol, XLogP of 4.52, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diamino-2-phenylphenyl)sulfinyl-3-phenylbenzene-1,2-diamine is sourced from PubChem (CID 54423063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).