2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole

C51H32N6 — CID 90380784

IUPAC2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole
SMILESc1ccc2cc(-c3c4ccc(-c5nc6ccccc6[nH]5)cc4c(-c4ccc(-c5nc6ccccc6[nH]5)cc4)c4ccc(-c5nc6ccccc6[nH]5)cc34)ccc2c1
InChIInChI=1S/C51H32N6/c1-2-10-33-27-34(22-17-30(33)9-1)48-38-26-24-35(50-54-43-13-5-6-14-44(43)55-50)28-39(38)47(31-18-20-32(21-19-31)49-52-41-11-3-4-12-42(41)53-49)37-25-23-36(29-40(37)48)51-56-45-15-7-8-16-46(45)57-51/h1-29H,(H,52,53)(H,54,55)(H,56,57)
InChIKeyMOJZZHQRFOQXHV-UHFFFAOYSA-N
MW728.86 g/mol
LogP13.11
Rot. Bonds5

About 2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole

2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole (PubChem CID 90380784) has the molecular formula C51H32N6 and a molecular weight of 728.86 g/mol. Its IUPAC name is 2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole
PubChem CID90380784
Molecular FormulaC51H32N6
Molecular Weight728.86 g/mol
Exact Mass728.27
IUPAC Name2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole
SMILESc1ccc2cc(-c3c4ccc(-c5nc6ccccc6[nH]5)cc4c(-c4ccc(-c5nc6ccccc6[nH]5)cc4)c4ccc(-c5nc6ccccc6[nH]5)cc34)ccc2c1
InChIInChI=1S/C51H32N6/c1-2-10-33-27-34(22-17-30(33)9-1)48-38-26-24-35(50-54-43-13-5-6-14-44(43)55-50)28-39(38)47(31-18-20-32(21-19-31)49-52-41-11-3-4-12-42(41)53-49)37-25-23-36(29-40(37)48)51-56-45-15-7-8-16-46(45)57-51/h1-29H,(H,52,53)(H,54,55)(H,56,57)
InChIKeyMOJZZHQRFOQXHV-UHFFFAOYSA-N
XLogP13.11
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 513.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(9,10-diphenylanthracen-2-yl)-2-phenyl-1H-benzimidazole
CID 136612713
2-[4-[12-[4-(1H-benzimidazol-2-yl)phenyl]tetracen-5-yl]phenyl]-1,3-benzoxazole
CID 157060243
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenyl-1H-benzimidazole
CID 136503273
2-(6-bromonaphthalen-2-yl)-1H-benzimidazole
CID 115354152
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole (CID 90380784) is 2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole is c1ccc2cc(-c3c4ccc(-c5nc6ccccc6[nH]5)cc4c(-c4ccc(-c5nc6ccccc6[nH]5)cc4)c4ccc(-c5nc6ccccc6[nH]5)cc34)ccc2c1.
What is the InChIKey of 2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole?
The InChIKey is MOJZZHQRFOQXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N6/c1-2-10-33-27-34(22-17-30(33)9-1)48-38-26-24-35(50-54-43-13-5-6-14-44(43)55-50)28-39(38)47(31-18-20-32(21-19-31)49-52-41-11-3-4-12-42(41)53-49)37-25-23-36(29-40(37)48)51-56-45-15-7-8-16-46(45)57-51/h1-29H,(H,52,53)(H,54,55)(H,56,57).
What are the key properties of 2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole?
2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole has a molecular weight of 728.86 g/mol, XLogP of 13.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole is sourced from PubChem (CID 90380784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).