2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole

C39H25BrN2 — CID 171785865

IUPAC2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole
SMILESBrc1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccccc2)cc1
InChIInChI=1S/C39H25BrN2/c40-31-20-16-28(17-21-31)39-41-37-33-22-18-29(26-10-4-1-5-11-26)24-35(33)36-25-30(27-12-6-2-7-13-27)19-23-34(36)38(37)42(39)32-14-8-3-9-15-32/h1-25H
InChIKeyKRPWIILTQYRPHD-UHFFFAOYSA-N
MW601.55 g/mol
LogP11.10
Rot. Bonds4

About 2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole

2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole (PubChem CID 171785865) has the molecular formula C39H25BrN2 and a molecular weight of 601.55 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole
PubChem CID171785865
Molecular FormulaC39H25BrN2
Molecular Weight601.55 g/mol
Exact Mass600.12
IUPAC Name2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole
SMILESBrc1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccccc2)cc1
InChIInChI=1S/C39H25BrN2/c40-31-20-16-28(17-21-31)39-41-37-33-22-18-29(26-10-4-1-5-11-26)24-35(33)36-25-30(27-12-6-2-7-13-27)19-23-34(36)38(37)42(39)32-14-8-3-9-15-32/h1-25H
InChIKeyKRPWIILTQYRPHD-UHFFFAOYSA-N
XLogP11.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.55
LogP ≤ 511.10
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-bromophenyl)-3,6,9-triphenylphenanthro[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

N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166889866
2-[4-(4-bromophenyl)phenyl]-3,4-diphenylimidazo[4,5-c]quinoline
CID 153490097
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500778
3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 88598678
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
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
3-(4-tert-butylphenyl)-6,9-dipyridin-4-yl-2-(4-pyridin-4-ylphenyl)phenanthro[9,10-d]imidazole
CID 164517930
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 126494792
2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500750
5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole?
The IUPAC name of 2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole (CID 171785865) is 2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole is Brc1ccc(-c2nc3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc4c3n2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole?
The InChIKey is KRPWIILTQYRPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25BrN2/c40-31-20-16-28(17-21-31)39-41-37-33-22-18-29(26-10-4-1-5-11-26)24-35(33)36-25-30(27-12-6-2-7-13-27)19-23-34(36)38(37)42(39)32-14-8-3-9-15-32/h1-25H.
What are the key properties of 2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole?
2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole has a molecular weight of 601.55 g/mol, XLogP of 11.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 171785865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).