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

C41H25F3N2 — CID 171770856

IUPAC2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
SMILESFC(F)(F)c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)Cc4ccccc4-5)cc3)nc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C41H25F3N2/c42-41(43,44)30-18-20-31(21-19-30)46-39-37-12-6-4-10-35(37)34-9-3-5-11-36(34)38(39)45-40(46)26-15-13-25(14-16-26)27-17-22-33-29(23-27)24-28-7-1-2-8-32(28)33/h1-23H,24H2
InChIKeyMBIZCUJOKWPFEI-UHFFFAOYSA-N
MW602.66 g/mol
LogP11.26
Rot. Bonds3

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

2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole (PubChem CID 171770856) has the molecular formula C41H25F3N2 and a molecular weight of 602.66 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
PubChem CID171770856
Molecular FormulaC41H25F3N2
Molecular Weight602.66 g/mol
Exact Mass602.20
IUPAC Name2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
SMILESFC(F)(F)c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)Cc4ccccc4-5)cc3)nc3c4ccccc4c4ccccc4c32)cc1
InChIInChI=1S/C41H25F3N2/c42-41(43,44)30-18-20-31(21-19-30)46-39-37-12-6-4-10-35(37)34-9-3-5-11-36(34)38(39)45-40(46)26-15-13-25(14-16-26)27-17-22-33-29(23-27)24-28-7-1-2-8-32(28)33/h1-23H,24H2
InChIKeyMBIZCUJOKWPFEI-UHFFFAOYSA-N
XLogP11.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.66
LogP ≤ 511.26
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

2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 132503187
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 171770852
2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole
CID 139202448
9-[4-(9H-fluoren-3-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 159939100
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
3-(4-tert-butylphenyl)-6,9-dipyridin-4-yl-2-(4-pyridin-4-ylphenyl)phenanthro[9,10-d]imidazole
CID 164517930
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 88598678
N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166889866
2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole
CID 174682704
2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 89279828
2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole
CID 171785865

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?
The IUPAC name of 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole (CID 171770856) is 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole is FC(F)(F)c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)Cc4ccccc4-5)cc3)nc3c4ccccc4c4ccccc4c32)cc1.
What is the InChIKey of 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?
The InChIKey is MBIZCUJOKWPFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25F3N2/c42-41(43,44)30-18-20-31(21-19-30)46-39-37-12-6-4-10-35(37)34-9-3-5-11-36(34)38(39)45-40(46)26-15-13-25(14-16-26)27-17-22-33-29(23-27)24-28-7-1-2-8-32(28)33/h1-23H,24H2.
What are the key properties of 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?
2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole has a molecular weight of 602.66 g/mol, XLogP of 11.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole is sourced from PubChem (CID 171770856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).