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

C43H29F3N2 — CID 171770852

IUPAC2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccc(C(F)(F)F)cc4)cc3)cc21
InChIInChI=1S/C43H29F3N2/c1-42(2)37-14-8-7-11-33(37)34-24-19-28(25-38(34)42)26-15-17-27(18-16-26)41-47-39-35-12-5-3-9-31(35)32-10-4-6-13-36(32)40(39)48(41)30-22-20-29(21-23-30)43(44,45)46/h3-25H,1-2H3
InChIKeyGCODPBLBFZTFRV-UHFFFAOYSA-N
MW630.71 g/mol
LogP11.99
Rot. Bonds3

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

2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole (PubChem CID 171770852) has the molecular formula C43H29F3N2 and a molecular weight of 630.71 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
PubChem CID171770852
Molecular FormulaC43H29F3N2
Molecular Weight630.71 g/mol
Exact Mass630.23
IUPAC Name2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccc(C(F)(F)F)cc4)cc3)cc21
InChIInChI=1S/C43H29F3N2/c1-42(2)37-14-8-7-11-33(37)34-24-19-28(25-38(34)42)26-15-17-27(18-16-26)41-47-39-35-12-5-3-9-31(35)32-10-4-6-13-36(32)40(39)48(41)30-22-20-29(21-23-30)43(44,45)46/h3-25H,1-2H3
InChIKeyGCODPBLBFZTFRV-UHFFFAOYSA-N
XLogP11.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.71
LogP ≤ 511.99
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
9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole
CID 140917912
2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole
CID 139202448
3-[4-[4-(11,11-dimethylindeno[1,2-b]quinolin-10-yl)phenyl]phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 139567233
2,9-bis(9,9-dimethylfluoren-2-yl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 59196207
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
2-(9,9-dimethylfluoren-2-yl)-5,5-dimethyl-8-[4-(trifluoromethyl)phenyl]indeno[1,2-b]pyridine
CID 59747285
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
5-[4-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 129192558
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
3-(4-tert-butylphenyl)-6,9-dipyridin-4-yl-2-(4-pyridin-4-ylphenyl)phenanthro[9,10-d]imidazole
CID 164517930
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole
CID 143828980

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?
The IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole (CID 171770852) is 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccc(C(F)(F)F)cc4)cc3)cc21.
What is the InChIKey of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?
The InChIKey is GCODPBLBFZTFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29F3N2/c1-42(2)37-14-8-7-11-33(37)34-24-19-28(25-38(34)42)26-15-17-27(18-16-26)41-47-39-35-12-5-3-9-31(35)32-10-4-6-13-36(32)40(39)48(41)30-22-20-29(21-23-30)43(44,45)46/h3-25H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole?
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole has a molecular weight of 630.71 g/mol, XLogP of 11.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole is sourced from PubChem (CID 171770852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).