3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole

C44H30N2 — CID 90130569

IUPAC3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole
SMILESc1ccc(-c2cc(-n3ccc4c5c(ccc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H30N2/c1-5-15-31(16-6-1)40-29-35(30-41(45-40)32-17-7-2-8-18-32)46-28-27-37-42(46)26-25-39-43(37)36-23-13-14-24-38(36)44(39,33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-30H
InChIKeyDXKNINKXWFNWTM-UHFFFAOYSA-N
MW586.74 g/mol
LogP10.72
Rot. Bonds5

About 3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole

3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole (PubChem CID 90130569) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole.

Molecular Properties

Compound Name3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole
PubChem CID90130569
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC Name3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole
SMILESc1ccc(-c2cc(-n3ccc4c5c(ccc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H30N2/c1-5-15-31(16-6-1)40-29-35(30-41(45-40)32-17-7-2-8-18-32)46-28-27-37-42(46)26-25-39-43(37)36-23-13-14-24-38(36)44(39,33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-30H
InChIKeyDXKNINKXWFNWTM-UHFFFAOYSA-N
XLogP10.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole?
The IUPAC name of 3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole (CID 90130569) is 3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole.
What is the SMILES notation for 3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole?
The canonical SMILES for 3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole is c1ccc(-c2cc(-n3ccc4c5c(ccc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole?
The InChIKey is DXKNINKXWFNWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-5-15-31(16-6-1)40-29-35(30-41(45-40)32-17-7-2-8-18-32)46-28-27-37-42(46)26-25-39-43(37)36-23-13-14-24-38(36)44(39,33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-30H.
What are the key properties of 3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole?
3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole has a molecular weight of 586.74 g/mol, XLogP of 10.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diphenyl-4-pyridinyl)-6,6-diphenylindeno[1,2-e]indole is sourced from PubChem (CID 90130569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).