9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole

C41H28N2S — CID 156657666

IUPAC9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole
SMILESCc1cc(-c2ccccc2)cc(C)c1-n1c(-c2cccc3c2sc2ccccc23)nc2cc3c(ccc4ccccc43)cc21
InChIInChI=1S/C41H28N2S/c1-25-21-30(27-11-4-3-5-12-27)22-26(2)39(25)43-37-23-29-20-19-28-13-6-7-14-31(28)35(29)24-36(37)42-41(43)34-17-10-16-33-32-15-8-9-18-38(32)44-40(33)34/h3-24H,1-2H3
InChIKeyWQKONWQIHRJDCP-UHFFFAOYSA-N
MW580.76 g/mol
LogP11.65
Rot. Bonds3

About 9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole

9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole (PubChem CID 156657666) has the molecular formula C41H28N2S and a molecular weight of 580.76 g/mol. Its IUPAC name is 9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole.

Molecular Properties

Compound Name9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole
PubChem CID156657666
Molecular FormulaC41H28N2S
Molecular Weight580.76 g/mol
Exact Mass580.20
IUPAC Name9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole
SMILESCc1cc(-c2ccccc2)cc(C)c1-n1c(-c2cccc3c2sc2ccccc23)nc2cc3c(ccc4ccccc43)cc21
InChIInChI=1S/C41H28N2S/c1-25-21-30(27-11-4-3-5-12-27)22-26(2)39(25)43-37-23-29-20-19-28-13-6-7-14-31(28)35(29)24-36(37)42-41(43)34-17-10-16-33-32-15-8-9-18-38(32)44-40(33)34/h3-24H,1-2H3
InChIKeyWQKONWQIHRJDCP-UHFFFAOYSA-N
XLogP11.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.76
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(2-tert-butyl-6-phenylphenyl)-2-dibenzothiophen-4-ylbenzimidazole
CID 156657290
9-(3H-dibenzothiophen-3-id-4-yl)-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156659399
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[17-(trideuteriomethyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaen-8-yl]benzimidazole
CID 176814821
12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166916090
5-[3-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155034988
4-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
3-(4-tert-butylphenyl)-2-dibenzothiophen-4-ylbenzo[e]benzimidazole
CID 156657480
10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 168730639
2-dibenzothiophen-4-yl-1-(2,5-diphenylphenyl)-7-fluorobenzimidazole
CID 156658129
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 137392432

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole?
The IUPAC name of 9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole (CID 156657666) is 9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole.
What is the SMILES notation for 9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole?
The canonical SMILES for 9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole is Cc1cc(-c2ccccc2)cc(C)c1-n1c(-c2cccc3c2sc2ccccc23)nc2cc3c(ccc4ccccc43)cc21.
What is the InChIKey of 9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole?
The InChIKey is WQKONWQIHRJDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2S/c1-25-21-30(27-11-4-3-5-12-27)22-26(2)39(25)43-37-23-29-20-19-28-13-6-7-14-31(28)35(29)24-36(37)42-41(43)34-17-10-16-33-32-15-8-9-18-38(32)44-40(33)34/h3-24H,1-2H3.
What are the key properties of 9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole?
9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole has a molecular weight of 580.76 g/mol, XLogP of 11.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole is sourced from PubChem (CID 156657666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).