3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole

C42H27N5 — CID 126494792

IUPAC3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c(-c5ccccc5)nc5c6ccccc6c6ccccc6c54)c3)n2)cc1
InChIInChI=1S/C42H27N5/c1-4-15-28(16-5-1)39-44-40(29-17-6-2-7-18-29)46-41(45-39)31-21-14-22-32(27-31)47-38-36-26-13-11-24-34(36)33-23-10-12-25-35(33)37(38)43-42(47)30-19-8-3-9-20-30/h1-27H
InChIKeyYBIOSZMGFJZSRJ-UHFFFAOYSA-N
MW601.71 g/mol
LogP10.18
Rot. Bonds5

About 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole (PubChem CID 126494792) has the molecular formula C42H27N5 and a molecular weight of 601.71 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
PubChem CID126494792
Molecular FormulaC42H27N5
Molecular Weight601.71 g/mol
Exact Mass601.23
IUPAC Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c(-c5ccccc5)nc5c6ccccc6c6ccccc6c54)c3)n2)cc1
InChIInChI=1S/C42H27N5/c1-4-15-28(16-5-1)39-44-40(29-17-6-2-7-18-29)46-41(45-39)31-21-14-22-32(27-31)47-38-36-26-13-11-24-34(36)33-23-10-12-25-35(33)37(38)43-42(47)30-19-8-3-9-20-30/h1-27H
InChIKeyYBIOSZMGFJZSRJ-UHFFFAOYSA-N
XLogP10.18
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole
CID 126500675
2-dibenzofuran-4-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500681
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylimidazo[4,5-a]carbazole
CID 135248603
11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500778
3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 163718987
5-(2-phenylphenanthro[9,10-d]imidazol-3-yl)benzene-1,3-dicarboxylic acid
CID 163775550
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
CID 126500743
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247655
2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500750
2-[4-[4-(2,6-diphenyl-[1,3,5]triazino[2,1-a]isoindol-4-yl)phenyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 169053732
1-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121459383

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole?
The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole (CID 126494792) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole.
What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole?
The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c(-c5ccccc5)nc5c6ccccc6c6ccccc6c54)c3)n2)cc1.
What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole?
The InChIKey is YBIOSZMGFJZSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5/c1-4-15-28(16-5-1)39-44-40(29-17-6-2-7-18-29)46-41(45-39)31-21-14-22-32(27-31)47-38-36-26-13-11-24-34(36)33-23-10-12-25-35(33)37(38)43-42(47)30-19-8-3-9-20-30/h1-27H.
What are the key properties of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole?
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole has a molecular weight of 601.71 g/mol, XLogP of 10.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 126494792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).