4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine

C170H109N15 — CID 161373189

IUPAC4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c56)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc3c4c(-c5ccc(-c6cc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C60H39N5.C56H35N5.C54H35N5/c1-5-15-40(16-6-1)42-25-29-44(30-26-42)53-39-54(63-59(62-53)47-35-27-43(28-36-47)41-17-7-2-8-18-41)45-31-33-46(34-32-45)57-56-51(50-23-13-14-24-52(50)61-57)37-38-55-58(56)64-60(48-19-9-3-10-20-48)65(55)49-21-11-4-12-22-49;1-3-17-40(18-4-1)56-60-54-51(61(56)41-21-5-2-6-22-41)34-33-46-45-25-11-12-28-48(45)57-53(52(46)54)39-31-29-38(30-32-39)49-35-50(44-26-13-19-36-15-7-9-23-42(36)44)59-55(58-49)47-27-14-20-37-16-8-10-24-43(37)47;1-5-15-36(16-6-1)37-25-27-38(28-26-37)47-35-48(57-53(56-47)41-17-7-2-8-18-41)39-29-31-40(32-30-39)51-50-45(44-23-13-14-24-46(44)55-51)33-34-49-52(50)58-54(42-19-9-3-10-20-42)59(49)43-21-11-4-12-22-43/h1-39H;1-35H;1-35H
InChIKeyVQSSRGLGVXHIJS-UHFFFAOYSA-N
MW2361.85 g/mol
LogP42.86
Rot. Bonds21

About 4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine

4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine (PubChem CID 161373189) has the molecular formula C170H109N15 and a molecular weight of 2361.85 g/mol. Its IUPAC name is 4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine.

Molecular Properties

Compound Name4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine
PubChem CID161373189
Molecular FormulaC170H109N15
Molecular Weight2361.85 g/mol
Exact Mass2359.90
IUPAC Name4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c56)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc3c4c(-c5ccc(-c6cc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C60H39N5.C56H35N5.C54H35N5/c1-5-15-40(16-6-1)42-25-29-44(30-26-42)53-39-54(63-59(62-53)47-35-27-43(28-36-47)41-17-7-2-8-18-41)45-31-33-46(34-32-45)57-56-51(50-23-13-14-24-52(50)61-57)37-38-55-58(56)64-60(48-19-9-3-10-20-48)65(55)49-21-11-4-12-22-49;1-3-17-40(18-4-1)56-60-54-51(61(56)41-21-5-2-6-22-41)34-33-46-45-25-11-12-28-48(45)57-53(52(46)54)39-31-29-38(30-32-39)49-35-50(44-26-13-19-36-15-7-9-23-42(36)44)59-55(58-49)47-27-14-20-37-16-8-10-24-43(37)47;1-5-15-36(16-6-1)37-25-27-38(28-26-37)47-35-48(57-53(56-47)41-17-7-2-8-18-41)39-29-31-40(32-30-39)51-50-45(44-23-13-14-24-46(44)55-51)33-34-49-52(50)58-54(42-19-9-3-10-20-42)59(49)43-21-11-4-12-22-43/h1-39H;1-35H;1-35H
InChIKeyVQSSRGLGVXHIJS-UHFFFAOYSA-N
XLogP42.86
TPSA169.47 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002361.85
LogP ≤ 542.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine with MolForge

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Related Compounds

4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 161353496
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498872
4-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 162128056
4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 159870424
1,2-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]imidazo[4,5-i]phenanthridine
CID 139498575
4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498569
4-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]imidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 157409017
4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498588
1,2-diphenyl-4-[4-[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 139498536
4-[4-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139499068
1,2-diphenyl-4-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 139498645
2-ethyl-1-phenyl-4-[4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]imidazo[4,5-i]phenanthridine
CID 147980040

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine?
The IUPAC name of 4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine (CID 161373189) is 4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine.
What is the SMILES notation for 4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine?
The canonical SMILES for 4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c56)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc6ccccc6c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc3c4c(-c5ccc(-c6cc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine?
The InChIKey is VQSSRGLGVXHIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N5.C56H35N5.C54H35N5/c1-5-15-40(16-6-1)42-25-29-44(30-26-42)53-39-54(63-59(62-53)47-35-27-43(28-36-47)41-17-7-2-8-18-41)45-31-33-46(34-32-45)57-56-51(50-23-13-14-24-52(50)61-57)37-38-55-58(56)64-60(48-19-9-3-10-20-48)65(55)49-21-11-4-12-22-49;1-3-17-40(18-4-1)56-60-54-51(61(56)41-21-5-2-6-22-41)34-33-46-45-25-11-12-28-48(45)57-53(52(46)54)39-31-29-38(30-32-39)49-35-50(44-26-13-19-36-15-7-9-23-42(36)44)59-55(58-49)47-27-14-20-37-16-8-10-24-43(37)47;1-5-15-36(16-6-1)37-25-27-38(28-26-37)47-35-48(57-53(56-47)41-17-7-2-8-18-41)39-29-31-40(32-30-39)51-50-45(44-23-13-14-24-46(44)55-51)33-34-49-52(50)58-54(42-19-9-3-10-20-42)59(49)43-21-11-4-12-22-43/h1-39H;1-35H;1-35H.
What are the key properties of 4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine?
4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine has a molecular weight of 2361.85 g/mol, XLogP of 42.86, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine;1,2-diphenyl-4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]imidazo[4,5-i]phenanthridine is sourced from PubChem (CID 161373189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).