1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole

C141H90N12 — CID 159325924

IUPAC1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c(-c5ccc6ccccc6c5)nc5ccccc54)cc3)n2)cc1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-n5c(-c6ccc7ccccc7c6)nc6ccccc65)cc4)n3)ccc2c1.c1ccc2cc(-c3nc4ccccc4n3-c3ccc(-c4nc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)ccc2c1
InChIInChI=1S/C55H34N4.C47H30N4.C39H26N4/c1-2-14-37-31-40(26-25-35(37)13-1)55-58-50-23-11-12-24-53(50)59(55)41-29-27-36(28-30-41)54-56-51(48-32-38-15-3-5-17-42(38)44-19-7-9-21-46(44)48)34-52(57-54)49-33-39-16-4-6-18-43(39)45-20-8-10-22-47(45)49;1-4-12-35-27-38(20-17-31(35)9-1)43-30-44(39-21-18-32-10-2-5-13-36(32)28-39)49-46(48-43)34-23-25-41(26-24-34)51-45-16-8-7-15-42(45)50-47(51)40-22-19-33-11-3-6-14-37(33)29-40;1-3-12-28(13-4-1)35-26-36(29-14-5-2-6-15-29)41-38(40-35)30-21-23-33(24-22-30)43-37-18-10-9-17-34(37)42-39(43)32-20-19-27-11-7-8-16-31(27)25-32/h1-34H;1-30H;1-26H
InChIKeyLEJCCZGDLDQESU-UHFFFAOYSA-N
MW1952.35 g/mol
LogP35.83
Rot. Bonds15

About 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole

1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole (PubChem CID 159325924) has the molecular formula C141H90N12 and a molecular weight of 1952.35 g/mol. Its IUPAC name is 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole
PubChem CID159325924
Molecular FormulaC141H90N12
Molecular Weight1952.35 g/mol
Exact Mass1950.74
IUPAC Name1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c(-c5ccc6ccccc6c5)nc5ccccc54)cc3)n2)cc1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-n5c(-c6ccc7ccccc7c6)nc6ccccc65)cc4)n3)ccc2c1.c1ccc2cc(-c3nc4ccccc4n3-c3ccc(-c4nc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)ccc2c1
InChIInChI=1S/C55H34N4.C47H30N4.C39H26N4/c1-2-14-37-31-40(26-25-35(37)13-1)55-58-50-23-11-12-24-53(50)59(55)41-29-27-36(28-30-41)54-56-51(48-32-38-15-3-5-17-42(38)44-19-7-9-21-46(44)48)34-52(57-54)49-33-39-16-4-6-18-43(39)45-20-8-10-22-47(45)49;1-4-12-35-27-38(20-17-31(35)9-1)43-30-44(39-21-18-32-10-2-5-13-36(32)28-39)49-46(48-43)34-23-25-41(26-24-34)51-45-16-8-7-15-42(45)50-47(51)40-22-19-33-11-3-6-14-37(33)29-40;1-3-12-28(13-4-1)35-26-36(29-14-5-2-6-15-29)41-38(40-35)30-21-23-33(24-22-30)43-37-18-10-9-17-34(37)42-39(43)32-20-19-27-11-7-8-16-31(27)25-32/h1-34H;1-30H;1-26H
InChIKeyLEJCCZGDLDQESU-UHFFFAOYSA-N
XLogP35.83
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001952.35
LogP ≤ 535.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole with MolForge

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Related Compounds

1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole
CID 159153433
2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole
CID 157091418
2-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-1-phenylbenzimidazole
CID 167156845
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole;2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylbenzimidazole
CID 158004452
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole
CID 71104991
2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 59010716
2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 143548276
4-(1,2-diphenylbenzimidazol-5-yl)-2,6-dinaphthalen-2-ylbenzo[h]quinoline
CID 70958695
9-[4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole
CID 157066444
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
3-naphthalen-2-yl-5-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzo[h]isoquinoline
CID 147220755

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole?
The IUPAC name of 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole (CID 159325924) is 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole.
What is the SMILES notation for 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole?
The canonical SMILES for 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c(-c5ccc6ccccc6c5)nc5ccccc54)cc3)n2)cc1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-n5c(-c6ccc7ccccc7c6)nc6ccccc65)cc4)n3)ccc2c1.c1ccc2cc(-c3nc4ccccc4n3-c3ccc(-c4nc(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)n4)cc3)ccc2c1.
What is the InChIKey of 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole?
The InChIKey is LEJCCZGDLDQESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4.C47H30N4.C39H26N4/c1-2-14-37-31-40(26-25-35(37)13-1)55-58-50-23-11-12-24-53(50)59(55)41-29-27-36(28-30-41)54-56-51(48-32-38-15-3-5-17-42(38)44-19-7-9-21-46(44)48)34-52(57-54)49-33-39-16-4-6-18-43(39)45-20-8-10-22-47(45)49;1-4-12-35-27-38(20-17-31(35)9-1)43-30-44(39-21-18-32-10-2-5-13-36(32)28-39)49-46(48-43)34-23-25-41(26-24-34)51-45-16-8-7-15-42(45)50-47(51)40-22-19-33-11-3-6-14-37(33)29-40;1-3-12-28(13-4-1)35-26-36(29-14-5-2-6-15-29)41-38(40-35)30-21-23-33(24-22-30)43-37-18-10-9-17-34(37)42-39(43)32-20-19-27-11-7-8-16-31(27)25-32/h1-34H;1-30H;1-26H.
What are the key properties of 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole?
1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole has a molecular weight of 1952.35 g/mol, XLogP of 35.83, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole is sourced from PubChem (CID 159325924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).