1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole

C38H26N2 — CID 58876083

IUPAC1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole
SMILESCc1c2ccccc2c(-c2ccc(-n3c(-c4ccc5ccccc5c4)nc4ccccc43)cc2)c2ccccc12
InChIInChI=1S/C38H26N2/c1-25-31-12-4-6-14-33(31)37(34-15-7-5-13-32(25)34)27-20-22-30(23-21-27)40-36-17-9-8-16-35(36)39-38(40)29-19-18-26-10-2-3-11-28(26)24-29/h2-24H,1H3
InChIKeyZFOPRIFBFJOEHM-UHFFFAOYSA-N
MW510.64 g/mol
LogP10.13
Rot. Bonds3

About 1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole

1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole (PubChem CID 58876083) has the molecular formula C38H26N2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole.

Molecular Properties

Compound Name1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole
PubChem CID58876083
Molecular FormulaC38H26N2
Molecular Weight510.64 g/mol
Exact Mass510.21
IUPAC Name1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole
SMILESCc1c2ccccc2c(-c2ccc(-n3c(-c4ccc5ccccc5c4)nc4ccccc43)cc2)c2ccccc12
InChIInChI=1S/C38H26N2/c1-25-31-12-4-6-14-33(31)37(34-15-7-5-13-32(25)34)27-20-22-30(23-21-27)40-36-17-9-8-16-35(36)39-38(40)29-19-18-26-10-2-3-11-28(26)24-29/h2-24H,1H3
InChIKeyZFOPRIFBFJOEHM-UHFFFAOYSA-N
XLogP10.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 510.13
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

2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 58963543
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole
CID 59010615
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
2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 143548276
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58876120
2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-1-naphthalen-2-ylbenzimidazole
CID 170236214
2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole
CID 143445043
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-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;methane
CID 159933758

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole?
The IUPAC name of 1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole (CID 58876083) is 1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole.
What is the SMILES notation for 1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole?
The canonical SMILES for 1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole is Cc1c2ccccc2c(-c2ccc(-n3c(-c4ccc5ccccc5c4)nc4ccccc43)cc2)c2ccccc12.
What is the InChIKey of 1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole?
The InChIKey is ZFOPRIFBFJOEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2/c1-25-31-12-4-6-14-33(31)37(34-15-7-5-13-32(25)34)27-20-22-30(23-21-27)40-36-17-9-8-16-35(36)39-38(40)29-19-18-26-10-2-3-11-28(26)24-29/h2-24H,1H3.
What are the key properties of 1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole?
1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole has a molecular weight of 510.64 g/mol, XLogP of 10.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(10-methylanthracen-9-yl)phenyl]-2-naphthalen-2-ylbenzimidazole is sourced from PubChem (CID 58876083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).