2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole

C44H28N2O — CID 134487962

IUPAC2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc5ccccc5cc34)c3ccccc23)cc1
InChIInChI=1S/C44H28N2O/c1-27-45-39-16-8-9-17-40(39)46(27)32-21-18-28(19-22-32)43-34-12-4-6-14-36(34)44(37-15-7-5-13-35(37)43)31-20-23-33-38-24-29-10-2-3-11-30(29)25-42(38)47-41(33)26-31/h2-26H,1H3
InChIKeyNNYCTMOBPVDJOF-UHFFFAOYSA-N
MW600.72 g/mol
LogP12.03
Rot. Bonds3

About 2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole

2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole (PubChem CID 134487962) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole
PubChem CID134487962
Molecular FormulaC44H28N2O
Molecular Weight600.72 g/mol
Exact Mass600.22
IUPAC Name2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc5ccccc5cc34)c3ccccc23)cc1
InChIInChI=1S/C44H28N2O/c1-27-45-39-16-8-9-17-40(39)46(27)32-21-18-28(19-22-32)43-34-12-4-6-14-36(34)44(37-15-7-5-13-35(37)43)31-20-23-33-38-24-29-10-2-3-11-30(29)25-42(38)47-41(33)26-31/h2-26H,1H3
InChIKeyNNYCTMOBPVDJOF-UHFFFAOYSA-N
XLogP12.03
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 139519819
2-methyl-1-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole
CID 58898396
2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 118503477
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole
CID 170236795
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
2-methyl-1-[4-(9-naphthalen-2-yl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]benzimidazole;1-[4-(9-naphthalen-2-yl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[4-(9-phenyl-10-tetraphenylen-2-ylanthracen-2-yl)phenyl]benzimidazole
CID 157224662
1-[4-[10-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 118503511
1-[4-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 139519792
2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole
CID 122468290
1-phenyl-2-[4-(12-phenyltetracen-5-yl)phenyl]benzimidazole
CID 168827474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole?
The IUPAC name of 2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole (CID 134487962) is 2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole?
The canonical SMILES for 2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole is Cc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc5ccccc5cc34)c3ccccc23)cc1.
What is the InChIKey of 2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole?
The InChIKey is NNYCTMOBPVDJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c1-27-45-39-16-8-9-17-40(39)46(27)32-21-18-28(19-22-32)43-34-12-4-6-14-36(34)44(37-15-7-5-13-35(37)43)31-20-23-33-38-24-29-10-2-3-11-30(29)25-42(38)47-41(33)26-31/h2-26H,1H3.
What are the key properties of 2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole?
2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole has a molecular weight of 600.72 g/mol, XLogP of 12.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole is sourced from PubChem (CID 134487962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).