3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole

C59H36N2 — CID 163718987

IUPAC3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-n5c(-c6ccccc6)nc6c7ccccc7c7ccccc7c65)c4)c4cccc-3c24)cc1
InChIInChI=1S/C59H36N2/c1-4-18-37(19-5-1)52-46-28-12-13-29-47(46)53(38-20-6-2-7-21-38)56-51-35-34-42(45-32-17-33-50(54(45)51)55(52)56)40-24-16-25-41(36-40)61-58-49-31-15-11-27-44(49)43-26-10-14-30-48(43)57(58)60-59(61)39-22-8-3-9-23-39/h1-36H
InChIKeyKPVNLKVVQNTUOV-UHFFFAOYSA-N
MW772.95 g/mol
LogP15.95
Rot. Bonds5

About 3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole

3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole (PubChem CID 163718987) has the molecular formula C59H36N2 and a molecular weight of 772.95 g/mol. Its IUPAC name is 3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
PubChem CID163718987
Molecular FormulaC59H36N2
Molecular Weight772.95 g/mol
Exact Mass772.29
IUPAC Name3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-n5c(-c6ccccc6)nc6c7ccccc7c7ccccc7c65)c4)c4cccc-3c24)cc1
InChIInChI=1S/C59H36N2/c1-4-18-37(19-5-1)52-46-28-12-13-29-47(46)53(38-20-6-2-7-21-38)56-51-35-34-42(45-32-17-33-50(54(45)51)55(52)56)40-24-16-25-41(36-40)61-58-49-31-15-11-27-44(49)43-26-10-14-30-48(43)57(58)60-59(61)39-22-8-3-9-23-39/h1-36H
InChIKeyKPVNLKVVQNTUOV-UHFFFAOYSA-N
XLogP15.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[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

1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole
CID 67991412
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 126494792
3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole
CID 58988745
2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 89279828
11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500778
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole
CID 58988845
2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole
CID 174682704
2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500704
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
2-dibenzofuran-4-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500681
2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500750

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole?
The IUPAC name of 3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole (CID 163718987) is 3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole.
What is the SMILES notation for 3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole?
The canonical SMILES for 3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4cccc(-n5c(-c6ccccc6)nc6c7ccccc7c7ccccc7c65)c4)c4cccc-3c24)cc1.
What is the InChIKey of 3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole?
The InChIKey is KPVNLKVVQNTUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2/c1-4-18-37(19-5-1)52-46-28-12-13-29-47(46)53(38-20-6-2-7-21-38)56-51-35-34-42(45-32-17-33-50(54(45)51)55(52)56)40-24-16-25-41(36-40)61-58-49-31-15-11-27-44(49)43-26-10-14-30-48(43)57(58)60-59(61)39-22-8-3-9-23-39/h1-36H.
What are the key properties of 3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole?
3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole has a molecular weight of 772.95 g/mol, XLogP of 15.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 163718987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).