2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole

C41H32N2 — CID 139202448

IUPAC2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole
SMILESCC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C41H32N2/c1-41(2,3)32-22-18-29(19-23-32)40-42-38-36-14-8-6-12-34(36)35-13-7-9-15-37(35)39(38)43(40)33-24-20-28(21-25-33)31-17-16-27-10-4-5-11-30(27)26-31/h4-26H,1-3H3
InChIKeyBCSIWVOPWQKGAC-UHFFFAOYSA-N
MW552.72 g/mol
LogP11.12
Rot. Bonds3

About 2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole

2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole (PubChem CID 139202448) has the molecular formula C41H32N2 and a molecular weight of 552.72 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole
PubChem CID139202448
Molecular FormulaC41H32N2
Molecular Weight552.72 g/mol
Exact Mass552.26
IUPAC Name2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole
SMILESCC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C41H32N2/c1-41(2,3)32-22-18-29(19-23-32)40-42-38-36-14-8-6-12-34(36)35-13-7-9-15-37(35)39(38)43(40)33-24-20-28(21-25-33)31-17-16-27-10-4-5-11-30(27)26-31/h4-26H,1-3H3
InChIKeyBCSIWVOPWQKGAC-UHFFFAOYSA-N
XLogP11.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 88598678
3-(4-tert-butylphenyl)-6,9-dipyridin-4-yl-2-(4-pyridin-4-ylphenyl)phenanthro[9,10-d]imidazole
CID 164517930
2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 132503187
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
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
2-[3,5-bis(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 89279864
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-phenylbenzo[f]benzimidazole;1-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylimidazo[4,5-c]isoquinoline;3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 159572166
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
12-[3,5-bis(4-tert-butylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[4-[3,5-bis(3-methylphenyl)phenyl]phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3,5-bis(3-phenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole;12-(3,5-diphenylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-naphthalen-2-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 161274428

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole (CID 139202448) is 2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole is CC(C)(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole?
The InChIKey is BCSIWVOPWQKGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2/c1-41(2,3)32-22-18-29(19-23-32)40-42-38-36-14-8-6-12-34(36)35-13-7-9-15-37(35)39(38)43(40)33-24-20-28(21-25-33)31-17-16-27-10-4-5-11-30(27)26-31/h4-26H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole?
2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole has a molecular weight of 552.72 g/mol, XLogP of 11.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-(4-naphthalen-2-ylphenyl)phenanthro[9,10-d]imidazole is sourced from PubChem (CID 139202448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).