2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole

C29H16F6N2 — CID 132503187

IUPAC2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
SMILESFC(F)(F)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C29H16F6N2/c30-28(31,32)18-11-9-17(10-12-18)27-36-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26(25)37(27)20-15-13-19(14-16-20)29(33,34)35/h1-16H
InChIKeySKBAHNMJOCAWDR-UHFFFAOYSA-N
MW506.45 g/mol
LogP9.04
Rot. Bonds2

About 2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole

2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole (PubChem CID 132503187) has the molecular formula C29H16F6N2 and a molecular weight of 506.45 g/mol. Its IUPAC name is 2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
PubChem CID132503187
Molecular FormulaC29H16F6N2
Molecular Weight506.45 g/mol
Exact Mass506.12
IUPAC Name2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
SMILESFC(F)(F)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C29H16F6N2/c30-28(31,32)18-11-9-17(10-12-18)27-36-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26(25)37(27)20-15-13-19(14-16-20)29(33,34)35/h1-16H
InChIKeySKBAHNMJOCAWDR-UHFFFAOYSA-N
XLogP9.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.45
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 171770856
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 171770852
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole
CID 139202448
2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole
CID 174682704
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
3-(4-tert-butylphenyl)-6,9-dipyridin-4-yl-2-(4-pyridin-4-ylphenyl)phenanthro[9,10-d]imidazole
CID 164517930
5-(4-methylphenyl)-4-phenyl-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene
CID 129269074
5-(2-phenylphenanthro[9,10-d]imidazol-3-yl)benzene-1,3-dicarboxylic acid
CID 163775550
3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 88598678
4-[4-[2-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazol-3-yl]phenyl]benzonitrile
CID 132513511
2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500704

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?
The IUPAC name of 2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole (CID 132503187) is 2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?
The canonical SMILES for 2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole is FC(F)(F)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?
The InChIKey is SKBAHNMJOCAWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16F6N2/c30-28(31,32)18-11-9-17(10-12-18)27-36-25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26(25)37(27)20-15-13-19(14-16-20)29(33,34)35/h1-16H.
What are the key properties of 2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?
2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole has a molecular weight of 506.45 g/mol, XLogP of 9.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole is sourced from PubChem (CID 132503187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).