2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum

C27H17N2Pt- — CID 59403957

IUPAC2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum
SMILES[Pt].[c-]1cc2ccccc2cc1-c1nc2cc3ccccc3cc2n1-c1ccccc1
InChIInChI=1S/C27H17N2.Pt/c1-2-12-24(13-3-1)29-26-18-22-11-7-6-10-21(22)17-25(26)28-27(29)23-15-14-19-8-4-5-9-20(19)16-23;/h1-14,16-18H;/q-1;
InChIKeyCOGOXDVENGVSHH-UHFFFAOYSA-N
MW564.53 g/mol
LogP6.80
Rot. Bonds2

About 2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum

2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum (PubChem CID 59403957) has the molecular formula C27H17N2Pt- and a molecular weight of 564.53 g/mol. Its IUPAC name is 2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum.

Molecular Properties

Compound Name2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum
PubChem CID59403957
Molecular FormulaC27H17N2Pt-
Molecular Weight564.53 g/mol
Exact Mass564.10
IUPAC Name2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum
SMILES[Pt].[c-]1cc2ccccc2cc1-c1nc2cc3ccccc3cc2n1-c1ccccc1
InChIInChI=1S/C27H17N2.Pt/c1-2-12-24(13-3-1)29-26-18-22-11-7-6-10-21(22)17-25(26)28-27(29)23-15-14-19-8-4-5-9-20(19)16-23;/h1-14,16-18H;/q-1;
InChIKeyCOGOXDVENGVSHH-UHFFFAOYSA-N
XLogP6.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.53
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline
CID 163479113
2-[4-[2-(3,5-dimethylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)benzene-5-id-1-yl]phenyl]benzene-6-id-1-yl]-1-phenylbenzimidazole;bis(iridium)
CID 153422850
bis(iridium);3-methyl-5-(3H-naphthalen-3-id-2-yl)-4-phenyl-1,2,4-triazole;3-methyl-5-naphthalen-2-yl-4-phenyl-1,2,4-triazole;pentane-2,4-diol
CID 157346046
5-methyl-1,2-diphenylbenzimidazole
CID 45104351
16,17-diphenyl-10-(3-phenylphenyl)-10,16,18-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 164589031
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 59010716
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 129099562
5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole
CID 143743337
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474

Frequently Asked Questions

What is the IUPAC name of 2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum?
The IUPAC name of 2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum (CID 59403957) is 2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum.
What is the SMILES notation for 2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum?
The canonical SMILES for 2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum is [Pt].[c-]1cc2ccccc2cc1-c1nc2cc3ccccc3cc2n1-c1ccccc1.
What is the InChIKey of 2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum?
The InChIKey is COGOXDVENGVSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N2.Pt/c1-2-12-24(13-3-1)29-26-18-22-11-7-6-10-21(22)17-25(26)28-27(29)23-15-14-19-8-4-5-9-20(19)16-23;/h1-14,16-18H;/q-1;.
What are the key properties of 2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum?
2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum has a molecular weight of 564.53 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-naphthalen-3-id-2-yl)-3-phenylbenzo[f]benzimidazole;platinum is sourced from PubChem (CID 59403957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).