2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole

C38H26N2 — CID 67729186

IUPAC2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole
SMILESCc1nc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2n1-c1ccccc1
InChIInChI=1S/C38H26N2/c1-25-39-37-35(30-21-19-26-11-5-7-13-28(26)23-30)33-17-9-10-18-34(33)36(38(37)40(25)32-15-3-2-4-16-32)31-22-20-27-12-6-8-14-29(27)24-31/h2-24H,1H3
InChIKeyGXSGIIWPKPNIJA-UHFFFAOYSA-N
MW510.64 g/mol
LogP10.13
Rot. Bonds3

About 2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole

2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole (PubChem CID 67729186) has the molecular formula C38H26N2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole.

Molecular Properties

Compound Name2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole
PubChem CID67729186
Molecular FormulaC38H26N2
Molecular Weight510.64 g/mol
Exact Mass510.21
IUPAC Name2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole
SMILESCc1nc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2n1-c1ccccc1
InChIInChI=1S/C38H26N2/c1-25-39-37-35(30-21-19-26-11-5-7-13-28(26)23-30)33-17-9-10-18-34(33)36(38(37)40(25)32-15-3-2-4-16-32)31-22-20-27-12-6-8-14-29(27)24-31/h2-24H,1H3
InChIKeyGXSGIIWPKPNIJA-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

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Related Compounds

3-cyclohepta-1,4,6-trien-1-yl-2-methyl-4,9-dinaphthalen-2-ylbenzo[f]benzimidazole
CID 143396383
2-naphthalen-2-yl-3-phenyl-9-(5-phenylfuran-2-yl)-4-(5-phenylfuran-3-yl)benzo[f]benzimidazole
CID 70894786
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 88598678
3-[4-[10-[3-(10-methyl-9-naphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]-4,5-diphenyl-1,2,4-triazole
CID 143535694
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58876120
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-15-methyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122492692
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole?
The IUPAC name of 2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole (CID 67729186) is 2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole.
What is the SMILES notation for 2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole?
The canonical SMILES for 2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole is Cc1nc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2n1-c1ccccc1.
What is the InChIKey of 2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole?
The InChIKey is GXSGIIWPKPNIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2/c1-25-39-37-35(30-21-19-26-11-5-7-13-28(26)23-30)33-17-9-10-18-34(33)36(38(37)40(25)32-15-3-2-4-16-32)31-22-20-27-12-6-8-14-29(27)24-31/h2-24H,1H3.
What are the key properties of 2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole?
2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole 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 2-methyl-4,9-dinaphthalen-2-yl-3-phenylbenzo[f]benzimidazole is sourced from PubChem (CID 67729186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).