2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole

C134H85N9O2 — CID 157347052

IUPAC2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3cc(-c4nc5ccccc5o4)cc(-c4cc5ccccc5c5ncccc45)c3)c2)nc1.c1ccc(-n2c(-c3ccc(-c4cc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)cc(-c5c6ccccc6cc6ccccc56)c4)c4ccccc34)nc3ccccc32)cc1.c1cncc(-c2cccc(-c3cc(-c4nc5ccccc5o4)cc(-c4c5ccccc5cc5ccccc45)c3)c2)c1
InChIInChI=1S/C59H38N4.C38H24N2O.C37H23N3O/c1-2-18-49(19-3-1)63-57-25-11-10-24-56(57)62-59(63)55-27-26-50(53-22-8-9-23-54(53)55)47-34-46(35-48(36-47)58-51-20-6-4-14-39(51)30-40-15-5-7-21-52(40)58)45-32-43(41-16-12-28-60-37-41)31-44(33-45)42-17-13-29-61-38-42;1-3-14-33-27(9-1)20-28-10-2-4-15-34(28)37(33)31-21-30(26-12-7-11-25(19-26)29-13-8-18-39-24-29)22-32(23-31)38-40-35-16-5-6-17-36(35)41-38;1-2-12-30-25(9-1)23-32(31-13-8-18-39-36(30)31)28-20-27(24-10-7-11-26(19-24)33-14-5-6-17-38-33)21-29(22-28)37-40-34-15-3-4-16-35(34)41-37/h1-38H;1-24H;1-23H
InChIKeyBHCBCXKKBWKLCA-UHFFFAOYSA-N
MW1853.21 g/mol
LogP35.07
Rot. Bonds15

About 2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole

2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole (PubChem CID 157347052) has the molecular formula C134H85N9O2 and a molecular weight of 1853.21 g/mol. Its IUPAC name is 2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
PubChem CID157347052
Molecular FormulaC134H85N9O2
Molecular Weight1853.21 g/mol
Exact Mass1851.68
IUPAC Name2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-c3cc(-c4nc5ccccc5o4)cc(-c4cc5ccccc5c5ncccc45)c3)c2)nc1.c1ccc(-n2c(-c3ccc(-c4cc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)cc(-c5c6ccccc6cc6ccccc56)c4)c4ccccc34)nc3ccccc32)cc1.c1cncc(-c2cccc(-c3cc(-c4nc5ccccc5o4)cc(-c4c5ccccc5cc5ccccc45)c3)c2)c1
InChIInChI=1S/C59H38N4.C38H24N2O.C37H23N3O/c1-2-18-49(19-3-1)63-57-25-11-10-24-56(57)62-59(63)55-27-26-50(53-22-8-9-23-54(53)55)47-34-46(35-48(36-47)58-51-20-6-4-14-39(51)30-40-15-5-7-21-52(40)58)45-32-43(41-16-12-28-60-37-41)31-44(33-45)42-17-13-29-61-38-42;1-3-14-33-27(9-1)20-28-10-2-4-15-34(28)37(33)31-21-30(26-12-7-11-25(19-26)29-13-8-18-39-24-29)22-32(23-31)38-40-35-16-5-6-17-36(35)41-38;1-2-12-30-25(9-1)23-32(31-13-8-18-39-36(30)31)28-20-27(24-10-7-11-26(19-24)33-14-5-6-17-38-33)21-29(22-28)37-40-34-15-3-4-16-35(34)41-37/h1-38H;1-24H;1-23H
InChIKeyBHCBCXKKBWKLCA-UHFFFAOYSA-N
XLogP35.07
TPSA134.33 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001853.21
LogP ≤ 535.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole with MolForge

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Related Compounds

2-[4-[[2-Butyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
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US20250346592, Example 125
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5-(4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenyl)-2-(quinolin-6-yl)benzo[d]oxazole
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2-[3-[4-[3-(4-Methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
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2-[3-[4-[3,5-Bis[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
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1-[7-[5-amino-7-fluoro-2-[[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methyl]imidazo[1,2-c]quinazolin-10-yl]-5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-(3,4-difluorophenyl)ethanone
CID 138721222
2-[3-[3-[[2-(Difluoromethyl)-7-(pyrrolidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-5-[(3-methylidenepyrrolidin-1-yl)methyl]-1,3-benzoxazole-7-carbonitrile
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4-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]pyrimidine;5-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[4-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 157544793
7-(2,7-dimethyl-3H-benzimidazol-5-yl)-5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazine;5-fluoro-7-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-3-piperidin-4-yl-1,2,4-benzotriazine;6-(5-fluoro-3-piperidin-4-yl-1,2,4-benzotriazin-7-yl)-2,4-dimethyl-1,3-benzoxazole
CID 158781212
1-(3,3-dimethylbutyl)indole;N-(3,3-dimethylbutyl)-N-methyl-1,3-benzoxazol-2-amine;4-(3,3-dimethylbutyl)-5-methyl-2-phenyl-1,3-oxazole;N-(3,3-dimethylbutyl)-N-methylpyridin-2-amine;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 159522960
4,7-Dimethyl-2,3-dihydro-1,4-benzoxazine;1,7-dimethyl-3,4-dihydroquinolin-2-one;1,2-dimethylimidazole;2,6-dimethylnaphthalene;2-methyl-1,3-oxazole;2-methylpyridine;3-methylquinoline;2-methylquinoxaline;5-methyl-2-(trifluoromethyl)pyrimidine;3,3,7-trimethyl-2,4-dihydrochromene
CID 160179797
3-[4-(1,3-benzoxazol-2-yl)-6-(2-methylpyrimidin-5-yl)-1,3,5-triazin-2-yl]-5-isocyanobenzonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(5-methylimidazo[4,5-b]pyridin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyridin-3-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole
CID 160260088

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole (CID 157347052) is 2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole is c1ccc(-c2cccc(-c3cc(-c4nc5ccccc5o4)cc(-c4cc5ccccc5c5ncccc45)c3)c2)nc1.c1ccc(-n2c(-c3ccc(-c4cc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)cc(-c5c6ccccc6cc6ccccc56)c4)c4ccccc34)nc3ccccc32)cc1.c1cncc(-c2cccc(-c3cc(-c4nc5ccccc5o4)cc(-c4c5ccccc5cc5ccccc45)c3)c2)c1.
What is the InChIKey of 2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole?
The InChIKey is BHCBCXKKBWKLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4.C38H24N2O.C37H23N3O/c1-2-18-49(19-3-1)63-57-25-11-10-24-56(57)62-59(63)55-27-26-50(53-22-8-9-23-54(53)55)47-34-46(35-48(36-47)58-51-20-6-4-14-39(51)30-40-15-5-7-21-52(40)58)45-32-43(41-16-12-28-60-37-41)31-44(33-45)42-17-13-29-61-38-42;1-3-14-33-27(9-1)20-28-10-2-4-15-34(28)37(33)31-21-30(26-12-7-11-25(19-26)29-13-8-18-39-24-29)22-32(23-31)38-40-35-16-5-6-17-36(35)41-38;1-2-12-30-25(9-1)23-32(31-13-8-18-39-36(30)31)28-20-27(24-10-7-11-26(19-24)33-14-5-6-17-38-33)21-29(22-28)37-40-34-15-3-4-16-35(34)41-37/h1-38H;1-24H;1-23H.
What are the key properties of 2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole?
2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole has a molecular weight of 1853.21 g/mol, XLogP of 35.07, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-anthracen-9-yl-5-(3,5-dipyridin-3-ylphenyl)phenyl]naphthalen-1-yl]-1-phenylbenzimidazole;2-[3-anthracen-9-yl-5-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 157347052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).