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

C158H99N17 — CID 161353496

IUPAC4-[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
SMILESc1ccc(-c2nc3c4c(-c5ccc(-c6cc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3c4c(-c5ccc(-c6cc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3c4c(-c5ccc(-c6cc(-c7ccncc7)nc(-c7ccncc7)n6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1
InChIInChI=1S/2C56H35N5.C46H29N7/c1-3-17-40(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;1-3-15-40(16-4-1)56-60-54-51(61(56)45-19-5-2-6-20-45)32-31-47-46-21-11-12-22-48(46)57-53(52(47)54)39-27-25-38(26-28-39)49-35-50(43-29-23-36-13-7-9-17-41(36)33-43)59-55(58-49)44-30-24-37-14-8-10-18-42(37)34-44;1-3-9-34(10-4-1)46-52-44-41(53(46)35-11-5-2-6-12-35)20-19-37-36-13-7-8-14-38(36)49-43(42(37)44)32-17-15-30(16-18-32)39-29-40(31-21-25-47-26-22-31)51-45(50-39)33-23-27-48-28-24-33/h2*1-35H;1-29H
InChIKeyVOFRBSIQCIDOSW-UHFFFAOYSA-N
MW2235.65 g/mol
LogP38.96
Rot. Bonds18

About 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

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 (PubChem CID 161353496) has the molecular formula C158H99N17 and a molecular weight of 2235.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID161353496
Molecular FormulaC158H99N17
Molecular Weight2235.65 g/mol
Exact Mass2233.83
IUPAC Name4-[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
SMILESc1ccc(-c2nc3c4c(-c5ccc(-c6cc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3c4c(-c5ccc(-c6cc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3c4c(-c5ccc(-c6cc(-c7ccncc7)nc(-c7ccncc7)n6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1
InChIInChI=1S/2C56H35N5.C46H29N7/c1-3-17-40(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;1-3-15-40(16-4-1)56-60-54-51(61(56)45-19-5-2-6-20-45)32-31-47-46-21-11-12-22-48(46)57-53(52(47)54)39-27-25-38(26-28-39)49-35-50(43-29-23-36-13-7-9-17-41(36)33-43)59-55(58-49)44-30-24-37-14-8-10-18-42(37)34-44;1-3-9-34(10-4-1)46-52-44-41(53(46)35-11-5-2-6-12-35)20-19-37-36-13-7-8-14-38(36)49-43(42(37)44)32-17-15-30(16-18-32)39-29-40(31-21-25-47-26-22-31)51-45(50-39)33-23-27-48-28-24-33/h2*1-35H;1-29H
InChIKeyVOFRBSIQCIDOSW-UHFFFAOYSA-N
XLogP38.96
TPSA195.25 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002235.65
LogP ≤ 538.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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-[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-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
CID 139498872
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-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine
CID 154611780
4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-2-ethyl-1-phenylimidazo[4,5-i]phenanthridine
CID 147184312
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc3c4c(-c5ccc(-c6cc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3c4c(-c5ccc(-c6cc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1.c1ccc(-c2nc3c4c(-c5ccc(-c6cc(-c7ccncc7)nc(-c7ccncc7)n6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is VOFRBSIQCIDOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H35N5.C46H29N7/c1-3-17-40(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;1-3-15-40(16-4-1)56-60-54-51(61(56)45-19-5-2-6-20-45)32-31-47-46-21-11-12-22-48(46)57-53(52(47)54)39-27-25-38(26-28-39)49-35-50(43-29-23-36-13-7-9-17-41(36)33-43)59-55(58-49)44-30-24-37-14-8-10-18-42(37)34-44;1-3-9-34(10-4-1)46-52-44-41(53(46)35-11-5-2-6-12-35)20-19-37-36-13-7-8-14-38(36)49-43(42(37)44)32-17-15-30(16-18-32)39-29-40(31-21-25-47-26-22-31)51-45(50-39)33-23-27-48-28-24-33/h2*1-35H;1-29H.
What are the key properties of 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?
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 has a molecular weight of 2235.65 g/mol, XLogP of 38.96, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161353496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).