3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one

C130H86N6O3 — CID 159251936

IUPAC3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one
SMILESCn1c(=O)n(-c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc21.O=c1n(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.O=c1n(-c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2n1-c1ccccc1
InChIInChI=1S/C49H32N2O.C43H28N2O.C38H26N2O/c52-49-50(39-28-24-35(25-29-39)33-12-2-1-3-13-33)45-20-10-11-21-46(45)51(49)40-30-26-36(27-31-40)47-41-16-6-8-18-43(41)48(44-19-9-7-17-42(44)47)38-23-22-34-14-4-5-15-37(34)32-38;46-43-44(33-15-3-1-4-16-33)39-26-25-32(28-40(39)45(43)34-17-5-2-6-18-34)42-37-21-11-9-19-35(37)41(36-20-10-12-22-38(36)42)31-24-23-29-13-7-8-14-30(29)27-31;1-39-35-24-28(21-22-34(35)40(38(39)41)29-13-3-2-4-14-29)37-32-17-9-7-15-30(32)36(31-16-8-10-18-33(31)37)27-20-19-25-11-5-6-12-26(25)23-27/h1-32H;1-28H;2-24H,1H3
InChIKeyKVKDNWLNIUWBQA-UHFFFAOYSA-N
MW1780.16 g/mol
LogP31.94
Rot. Bonds12

About 3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one

3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one (PubChem CID 159251936) has the molecular formula C130H86N6O3 and a molecular weight of 1780.16 g/mol. Its IUPAC name is 3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one
PubChem CID159251936
Molecular FormulaC130H86N6O3
Molecular Weight1780.16 g/mol
Exact Mass1778.68
IUPAC Name3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one
SMILESCn1c(=O)n(-c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc21.O=c1n(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.O=c1n(-c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2n1-c1ccccc1
InChIInChI=1S/C49H32N2O.C43H28N2O.C38H26N2O/c52-49-50(39-28-24-35(25-29-39)33-12-2-1-3-13-33)45-20-10-11-21-46(45)51(49)40-30-26-36(27-31-40)47-41-16-6-8-18-43(41)48(44-19-9-7-17-42(44)47)38-23-22-34-14-4-5-15-37(34)32-38;46-43-44(33-15-3-1-4-16-33)39-26-25-32(28-40(39)45(43)34-17-5-2-6-18-34)42-37-21-11-9-19-35(37)41(36-20-10-12-22-38(36)42)31-24-23-29-13-7-8-14-30(29)27-31;1-39-35-24-28(21-22-34(35)40(38(39)41)29-13-3-2-4-14-29)37-32-17-9-7-15-30(32)36(31-16-8-10-18-33(31)37)27-20-19-25-11-5-6-12-26(25)23-27/h1-32H;1-28H;2-24H,1H3
InChIKeyKVKDNWLNIUWBQA-UHFFFAOYSA-N
XLogP31.94
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001780.16
LogP ≤ 531.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one with MolForge

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Related Compounds

1-methyl-3-[4-[3-[10-naphthalen-2-yl-9-[4-[2-oxo-3-(3-phenylphenyl)benzimidazol-1-yl]phenyl]anthracen-2-yl]-5-pyren-1-ylphenyl]phenyl]benzimidazol-2-one
CID 130368768
9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one
CID 167485196
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
1,3-dimethyl-5-[10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]benzimidazol-2-one
CID 167485038
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
5-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]phenyl]-1,3-dimethylbenzimidazol-2-one
CID 172507243
12-[4-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130377445

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one?
The IUPAC name of 3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one (CID 159251936) is 3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one.
What is the SMILES notation for 3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one?
The canonical SMILES for 3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one is Cn1c(=O)n(-c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc21.O=c1n(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.O=c1n(-c2ccccc2)c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2n1-c1ccccc1.
What is the InChIKey of 3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one?
The InChIKey is KVKDNWLNIUWBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O.C43H28N2O.C38H26N2O/c52-49-50(39-28-24-35(25-29-39)33-12-2-1-3-13-33)45-20-10-11-21-46(45)51(49)40-30-26-36(27-31-40)47-41-16-6-8-18-43(41)48(44-19-9-7-17-42(44)47)38-23-22-34-14-4-5-15-37(34)32-38;46-43-44(33-15-3-1-4-16-33)39-26-25-32(28-40(39)45(43)34-17-5-2-6-18-34)42-37-21-11-9-19-35(37)41(36-20-10-12-22-38(36)42)31-24-23-29-13-7-8-14-30(29)27-31;1-39-35-24-28(21-22-34(35)40(38(39)41)29-13-3-2-4-14-29)37-32-17-9-7-15-30(32)36(31-16-8-10-18-33(31)37)27-20-19-25-11-5-6-12-26(25)23-27/h1-32H;1-28H;2-24H,1H3.
What are the key properties of 3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one?
3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one has a molecular weight of 1780.16 g/mol, XLogP of 31.94, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one is sourced from PubChem (CID 159251936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).