1-benzhydryl-3-phenylindol-5-amine

C27H22N2 — CID 141114540

IUPAC1-benzhydryl-3-phenylindol-5-amine
SMILESNc1ccc2c(c1)c(-c1ccccc1)cn2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22N2/c28-23-16-17-26-24(18-23)25(20-10-4-1-5-11-20)19-29(26)27(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,27H,28H2
InChIKeyHQQDIAWWNSTDIJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP6.53
Rot. Bonds4

About 1-benzhydryl-3-phenylindol-5-amine

1-benzhydryl-3-phenylindol-5-amine (PubChem CID 141114540) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-benzhydryl-3-phenylindol-5-amine.

Molecular Properties

Compound Name1-benzhydryl-3-phenylindol-5-amine
PubChem CID141114540
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC Name1-benzhydryl-3-phenylindol-5-amine
SMILESNc1ccc2c(c1)c(-c1ccccc1)cn2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H22N2/c28-23-16-17-26-24(18-23)25(20-10-4-1-5-11-20)19-29(26)27(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,27H,28H2
InChIKeyHQQDIAWWNSTDIJ-UHFFFAOYSA-N
XLogP6.53
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-phenylindol-5-amine?
The IUPAC name of 1-benzhydryl-3-phenylindol-5-amine (CID 141114540) is 1-benzhydryl-3-phenylindol-5-amine.
What is the SMILES notation for 1-benzhydryl-3-phenylindol-5-amine?
The canonical SMILES for 1-benzhydryl-3-phenylindol-5-amine is Nc1ccc2c(c1)c(-c1ccccc1)cn2C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-phenylindol-5-amine?
The InChIKey is HQQDIAWWNSTDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2/c28-23-16-17-26-24(18-23)25(20-10-4-1-5-11-20)19-29(26)27(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,27H,28H2.
What are the key properties of 1-benzhydryl-3-phenylindol-5-amine?
1-benzhydryl-3-phenylindol-5-amine has a molecular weight of 374.49 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-phenylindol-5-amine is sourced from PubChem (CID 141114540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).