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

C118H74N4 — CID 158004452

IUPAC2-[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
SMILESc1ccc(-n2c(-c3ccc4c(ccc5cc(-c6ccc7c(-c8ccc9ccccc9c8)c8ccccc8c(-c8ccc9ccccc9c8)c7c6)ccc54)c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc4cc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)ccc4c3)nc3ccccc32)cc1
InChIInChI=1S/C61H38N2.C57H36N2/c1-2-16-50(17-3-1)63-58-21-11-10-20-57(58)62-61(63)49-30-32-52-46(37-49)25-24-45-34-43(28-31-51(45)52)44-29-33-55-56(38-44)60(48-27-23-40-13-5-7-15-42(40)36-48)54-19-9-8-18-53(54)59(55)47-26-22-39-12-4-6-14-41(39)35-47;1-2-16-48(17-3-1)59-54-21-11-10-20-53(54)58-57(59)47-29-26-41-32-42(24-25-43(41)35-47)44-30-31-51-52(36-44)56(46-28-23-38-13-5-7-15-40(38)34-46)50-19-9-8-18-49(50)55(51)45-27-22-37-12-4-6-14-39(37)33-45/h1-38H;1-36H
InChIKeyFECSKJMAHWGVNQ-UHFFFAOYSA-N
MW1547.92 g/mol
LogP32.07
Rot. Bonds10

About 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

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 (PubChem CID 158004452) has the molecular formula C118H74N4 and a molecular weight of 1547.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158004452
Molecular FormulaC118H74N4
Molecular Weight1547.92 g/mol
Exact Mass1546.59
IUPAC Name2-[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
SMILESc1ccc(-n2c(-c3ccc4c(ccc5cc(-c6ccc7c(-c8ccc9ccccc9c8)c8ccccc8c(-c8ccc9ccccc9c8)c7c6)ccc54)c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc4cc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)ccc4c3)nc3ccccc32)cc1
InChIInChI=1S/C61H38N2.C57H36N2/c1-2-16-50(17-3-1)63-58-21-11-10-20-57(58)62-61(63)49-30-32-52-46(37-49)25-24-45-34-43(28-31-51(45)52)44-29-33-55-56(38-44)60(48-27-23-40-13-5-7-15-42(40)36-48)54-19-9-8-18-53(54)59(55)47-26-22-39-12-4-6-14-41(39)35-47;1-2-16-48(17-3-1)59-54-21-11-10-20-53(54)58-57(59)47-29-26-41-32-42(24-25-43(41)35-47)44-30-31-51-52(36-44)56(46-28-23-38-13-5-7-15-40(38)34-46)50-19-9-8-18-49(50)55(51)45-27-22-37-12-4-6-14-39(37)33-45/h1-38H;1-36H
InChIKeyFECSKJMAHWGVNQ-UHFFFAOYSA-N
XLogP32.07
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001547.92
LogP ≤ 532.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758
2-[4-[9,10-dinaphthalen-2-yl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 20771534
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
2-[9-naphthalen-2-yl-10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-2-yl]benzene-1,3-diol
CID 90380743
9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58963335
5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 88598537
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
1-[3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-2-phenylbenzimidazole
CID 166509863
1-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-phenylphenyl)benzimidazole
CID 59010634
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c(-c3ccc4c(ccc5cc(-c6ccc7c(-c8ccc9ccccc9c8)c8ccccc8c(-c8ccc9ccccc9c8)c7c6)ccc54)c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc4cc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)ccc4c3)nc3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is FECSKJMAHWGVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2.C57H36N2/c1-2-16-50(17-3-1)63-58-21-11-10-20-57(58)62-61(63)49-30-32-52-46(37-49)25-24-45-34-43(28-31-51(45)52)44-29-33-55-56(38-44)60(48-27-23-40-13-5-7-15-42(40)36-48)54-19-9-8-18-53(54)59(55)47-26-22-39-12-4-6-14-41(39)35-47;1-2-16-48(17-3-1)59-54-21-11-10-20-53(54)58-57(59)47-29-26-41-32-42(24-25-43(41)35-47)44-30-31-51-52(36-44)56(46-28-23-38-13-5-7-15-40(38)34-46)50-19-9-8-18-49(50)55(51)45-27-22-37-12-4-6-14-39(37)33-45/h1-38H;1-36H.
What are the key properties of 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?
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 has a molecular weight of 1547.92 g/mol, XLogP of 32.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158004452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).