3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole

C28H22N2 — CID 177469072

IUPAC3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole
SMILESc1ccc(-c2[nH]c3ccccc3c2C2C(c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C28H22N2/c1-4-12-20(13-5-1)26-25(23-18-10-11-19-24(23)29-26)28-27(21-14-6-2-7-15-21)30(28)22-16-8-3-9-17-22/h1-19,27-29H
InChIKeyNSSGQNAVBKAVHF-UHFFFAOYSA-N
MW386.50 g/mol
LogP7.14
Rot. Bonds4

About 3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole

3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole (PubChem CID 177469072) has the molecular formula C28H22N2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole
PubChem CID177469072
Molecular FormulaC28H22N2
Molecular Weight386.50 g/mol
Exact Mass386.18
IUPAC Name3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole
SMILESc1ccc(-c2[nH]c3ccccc3c2C2C(c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C28H22N2/c1-4-12-20(13-5-1)26-25(23-18-10-11-19-24(23)29-26)28-27(21-14-6-2-7-15-21)30(28)22-16-8-3-9-17-22/h1-19,27-29H
InChIKeyNSSGQNAVBKAVHF-UHFFFAOYSA-N
XLogP7.14
TPSA18.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,12-diphenyl-10,15-diazapentacyclo[12.7.0.03,11.04,9.016,21]henicosa-1(14),3(11),4,6,8,12,16,18,20-nonaene
CID 132850896
3-fluoro-2-phenyl-1H-indole
CID 141242496
1,3-dimethyl-10-phenyl-5,10-dihydroindeno[1,2-b]indole
CID 132521659
9H-carbazole;9,10-diphenylanthracene
CID 159841164
1,4-diphenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 121437743
11,30-bis(4-methylphenyl)-3,19,22,38-tetrazanonacyclo[29.7.0.02,10.04,9.012,20.013,18.021,29.023,28.032,37]octatriaconta-1(31),2(10),4,6,8,12(20),13,15,17,21(29),23,25,27,32,34,36-hexadecaene
CID 139198359
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
6-methyl-2-(2-phenyl-1H-indol-3-yl)-2,3-dihydro-1,3-benzothiazole
CID 10759748
(3S)-2-[(1R)-1-phenylethyl]-3-(2-phenyl-1H-indol-3-yl)-3H-isoindol-1-one
CID 41031652
3-(1,3-dioxolan-2-yl)-2-(4-fluorophenyl)-1H-indole
CID 170874045
2-phenyl-3-(5-phenyltetrazol-1-yl)-1H-indole
CID 118908819
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole?
The IUPAC name of 3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole (CID 177469072) is 3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole.
What is the SMILES notation for 3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole?
The canonical SMILES for 3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole is c1ccc(-c2[nH]c3ccccc3c2C2C(c3ccccc3)N2c2ccccc2)cc1.
What is the InChIKey of 3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole?
The InChIKey is NSSGQNAVBKAVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2/c1-4-12-20(13-5-1)26-25(23-18-10-11-19-24(23)29-26)28-27(21-14-6-2-7-15-21)30(28)22-16-8-3-9-17-22/h1-19,27-29H.
What are the key properties of 3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole?
3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole has a molecular weight of 386.50 g/mol, XLogP of 7.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diphenylaziridin-2-yl)-2-phenyl-1H-indole is sourced from PubChem (CID 177469072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).