11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole

C42H29N2OP — CID 164782340

IUPAC11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
SMILESO=P(c1ccccc1)(c1ccc(-c2c3ccccc3n3c4ccccc4n(-c4ccccc4)c23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C42H29N2OP/c45-46(34-17-5-2-6-18-34,36-28-23-30-13-7-8-14-32(30)29-36)35-26-24-31(25-27-35)41-37-19-9-10-20-38(37)44-40-22-12-11-21-39(40)43(42(41)44)33-15-3-1-4-16-33/h1-29H
InChIKeyMTYOORTZBIIUEE-UHFFFAOYSA-N
MW608.68 g/mol
LogP9.50
Rot. Bonds5

About 11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole

11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole (PubChem CID 164782340) has the molecular formula C42H29N2OP and a molecular weight of 608.68 g/mol. Its IUPAC name is 11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
PubChem CID164782340
Molecular FormulaC42H29N2OP
Molecular Weight608.68 g/mol
Exact Mass608.20
IUPAC Name11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
SMILESO=P(c1ccccc1)(c1ccc(-c2c3ccccc3n3c4ccccc4n(-c4ccccc4)c23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C42H29N2OP/c45-46(34-17-5-2-6-18-34,36-28-23-30-13-7-8-14-32(30)29-36)35-26-24-31(25-27-35)41-37-19-9-10-20-38(37)44-40-22-12-11-21-39(40)43(42(41)44)33-15-3-1-4-16-33/h1-29H
InChIKeyMTYOORTZBIIUEE-UHFFFAOYSA-N
XLogP9.50
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.68
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-[3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylindolo[1,2-a]benzimidazole;11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
CID 164961112
10-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782315
10-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782436
10-[3-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782166
2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982866
10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782219
6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 134552769
11-phenyl-10-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole
CID 164947595
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[1,2-a]benzimidazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[1,2-a]benzimidazole;11-phenyl-10-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole
CID 165108051
10-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole;10-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164969805
3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole
CID 87159769
11-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-10-phenylindolo[1,2-a]benzimidazole
CID 164782241

Frequently Asked Questions

What is the IUPAC name of 11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole?
The IUPAC name of 11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole (CID 164782340) is 11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole.
What is the SMILES notation for 11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole?
The canonical SMILES for 11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole is O=P(c1ccccc1)(c1ccc(-c2c3ccccc3n3c4ccccc4n(-c4ccccc4)c23)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole?
The InChIKey is MTYOORTZBIIUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N2OP/c45-46(34-17-5-2-6-18-34,36-28-23-30-13-7-8-14-32(30)29-36)35-26-24-31(25-27-35)41-37-19-9-10-20-38(37)44-40-22-12-11-21-39(40)43(42(41)44)33-15-3-1-4-16-33/h1-29H.
What are the key properties of 11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole?
11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole has a molecular weight of 608.68 g/mol, XLogP of 9.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole is sourced from PubChem (CID 164782340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).