5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole

C61H40N2 — CID 58953645

IUPAC5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
SMILESc1ccc(-c2c3ccc(-c4cccc5ccccc45)cc3c(-c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)cc4)cc23)cc1
InChIInChI=1S/C61H40N2/c1-5-17-44(18-6-1)59-54-36-33-49(52-27-15-23-43-16-13-14-26-51(43)52)39-56(54)60(45-19-7-2-8-20-45)53-35-32-47(38-55(53)59)41-28-30-42(31-29-41)48-34-37-58-57(40-48)62-61(46-21-9-3-10-22-46)63(58)50-24-11-4-12-25-50/h1-40H
InChIKeyOKDGLBDICUPNRN-UHFFFAOYSA-N
MW801.01 g/mol
LogP16.49
Rot. Bonds7

About 5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole

5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole (PubChem CID 58953645) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole.

Molecular Properties

Compound Name5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
PubChem CID58953645
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC Name5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
SMILESc1ccc(-c2c3ccc(-c4cccc5ccccc45)cc3c(-c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)cc4)cc23)cc1
InChIInChI=1S/C61H40N2/c1-5-17-44(18-6-1)59-54-36-33-49(52-27-15-23-43-16-13-14-26-51(43)52)39-56(54)60(45-19-7-2-8-20-45)53-35-32-47(38-55(53)59)41-28-30-42(31-29-41)48-34-37-58-57(40-48)62-61(46-21-9-3-10-22-46)63(58)50-24-11-4-12-25-50/h1-40H
InChIKeyOKDGLBDICUPNRN-UHFFFAOYSA-N
XLogP16.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[6-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 58953757
5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 88598537
1-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953721
2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 159805058
1-(9,10-diphenylanthracen-2-yl)-2,5-diphenylbenzimidazole
CID 58953775
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
5-[4-[10-(3,4-dihydronaphthalen-1-yl)-6-(1,2-diphenylbenzimidazol-5-yl)-9-naphthalen-1-ylanthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 163502985
1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
CID 59010697
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
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142
3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene
CID 160576501

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole?
The IUPAC name of 5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole (CID 58953645) is 5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole.
What is the SMILES notation for 5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole?
The canonical SMILES for 5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole is c1ccc(-c2c3ccc(-c4cccc5ccccc45)cc3c(-c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)cc4)cc23)cc1.
What is the InChIKey of 5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole?
The InChIKey is OKDGLBDICUPNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-5-17-44(18-6-1)59-54-36-33-49(52-27-15-23-43-16-13-14-26-51(43)52)39-56(54)60(45-19-7-2-8-20-45)53-35-32-47(38-55(53)59)41-28-30-42(31-29-41)48-34-37-58-57(40-48)62-61(46-21-9-3-10-22-46)63(58)50-24-11-4-12-25-50/h1-40H.
What are the key properties of 5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole?
5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole has a molecular weight of 801.01 g/mol, XLogP of 16.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole is sourced from PubChem (CID 58953645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).