2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole

C61H40N4 — CID 89279828

IUPAC2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C61H40N4/c1-6-20-41(21-7-1)45-37-55(43-24-10-3-11-25-43)62-57(39-45)47-34-48(58-40-46(42-22-8-2-9-23-42)38-56(63-58)44-26-12-4-13-27-44)36-49(35-47)61-64-59-53-32-18-16-30-51(53)52-31-17-19-33-54(52)60(59)65(61)50-28-14-5-15-29-50/h1-40H
InChIKeyXXKRZFDTPATIMI-UHFFFAOYSA-N
MW829.02 g/mol
LogP15.79
Rot. Bonds8

About 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole

2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole (PubChem CID 89279828) has the molecular formula C61H40N4 and a molecular weight of 829.02 g/mol. Its IUPAC name is 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
PubChem CID89279828
Molecular FormulaC61H40N4
Molecular Weight829.02 g/mol
Exact Mass828.33
IUPAC Name2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C61H40N4/c1-6-20-41(21-7-1)45-37-55(43-24-10-3-11-25-43)62-57(39-45)47-34-48(58-40-46(42-22-8-2-9-23-42)38-56(63-58)44-26-12-4-13-27-44)36-49(35-47)61-64-59-53-32-18-16-30-51(53)52-31-17-19-33-54(52)60(59)65(61)50-28-14-5-15-29-50/h1-40H
InChIKeyXXKRZFDTPATIMI-UHFFFAOYSA-N
XLogP15.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.02
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-bis(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 89279864
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 126494792
2-[3,5-bis(6-phenyl-2-quinolin-8-ylpyrimidin-4-yl)phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline
CID 89279933
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166889866
2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline
CID 159086204
2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole
CID 174682704
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
2-(4-bromophenyl)-3,6,9-triphenylphenanthro[9,10-d]imidazole
CID 171785865

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole?
The IUPAC name of 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole (CID 89279828) is 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole?
The canonical SMILES for 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole?
The InChIKey is XXKRZFDTPATIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4/c1-6-20-41(21-7-1)45-37-55(43-24-10-3-11-25-43)62-57(39-45)47-34-48(58-40-46(42-22-8-2-9-23-42)38-56(63-58)44-26-12-4-13-27-44)36-49(35-47)61-64-59-53-32-18-16-30-51(53)52-31-17-19-33-54(52)60(59)65(61)50-28-14-5-15-29-50/h1-40H.
What are the key properties of 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole?
2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole has a molecular weight of 829.02 g/mol, XLogP of 15.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole is sourced from PubChem (CID 89279828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).