1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole

C85H52N4S2 — CID 139519800

IUPAC1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole
SMILESCc1nc2ccc(-c3cccc(-c4nc5ccccc5n4-c4ccc(-c5c6ccccc6c(-c6ccc7c(c6)sc6ccccc67)c6ccccc56)cc4)c3)cc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C85H52N4S2/c1-51-86-74-46-39-55(48-76(74)88(51)59-40-33-52(34-41-59)81-65-21-2-6-25-69(65)83(70-26-7-3-22-66(70)81)56-37-44-63-61-19-10-14-31-77(61)90-79(63)49-56)54-17-16-18-58(47-54)85-87-73-29-12-13-30-75(73)89(85)60-42-35-53(36-43-60)82-67-23-4-8-27-71(67)84(72-28-9-5-24-68(72)82)57-38-45-64-62-20-11-15-32-78(62)91-80(64)50-57/h2-50H,1H3
InChIKeyOWKMYLSTCJSVQI-UHFFFAOYSA-N
MW1193.51 g/mol
LogP24.02
Rot. Bonds8

About 1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole

1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole (PubChem CID 139519800) has the molecular formula C85H52N4S2 and a molecular weight of 1193.51 g/mol. Its IUPAC name is 1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole
PubChem CID139519800
Molecular FormulaC85H52N4S2
Molecular Weight1193.51 g/mol
Exact Mass1192.36
IUPAC Name1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole
SMILESCc1nc2ccc(-c3cccc(-c4nc5ccccc5n4-c4ccc(-c5c6ccccc6c(-c6ccc7c(c6)sc6ccccc67)c6ccccc56)cc4)c3)cc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C85H52N4S2/c1-51-86-74-46-39-55(48-76(74)88(51)59-40-33-52(34-41-59)81-65-21-2-6-25-69(65)83(70-26-7-3-22-66(70)81)56-37-44-63-61-19-10-14-31-77(61)90-79(63)49-56)54-17-16-18-58(47-54)85-87-73-29-12-13-30-75(73)89(85)60-42-35-53(36-43-60)82-67-23-4-8-27-71(67)84(72-28-9-5-24-68(72)82)57-38-45-64-62-20-11-15-32-78(62)91-80(64)50-57/h2-50H,1H3
InChIKeyOWKMYLSTCJSVQI-UHFFFAOYSA-N
XLogP24.02
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.51
LogP ≤ 524.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole with MolForge

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Related Compounds

2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
1-[4-[10-[3-[3-[5-[10-[4-(2-methylbenzimidazol-1-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]phenyl]-5-phenylphenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 139519929
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
1-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169071972
2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 139519819
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole;2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole;3-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole;9-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole;2-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzothiole;8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 158599422
1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole
CID 170236799
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
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-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 118503706
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538

Frequently Asked Questions

What is the IUPAC name of 1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole?
The IUPAC name of 1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole (CID 139519800) is 1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole is Cc1nc2ccc(-c3cccc(-c4nc5ccccc5n4-c4ccc(-c5c6ccccc6c(-c6ccc7c(c6)sc6ccccc67)c6ccccc56)cc4)c3)cc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of 1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole?
The InChIKey is OWKMYLSTCJSVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H52N4S2/c1-51-86-74-46-39-55(48-76(74)88(51)59-40-33-52(34-41-59)81-65-21-2-6-25-69(65)83(70-26-7-3-22-66(70)81)56-37-44-63-61-19-10-14-31-77(61)90-79(63)49-56)54-17-16-18-58(47-54)85-87-73-29-12-13-30-75(73)89(85)60-42-35-53(36-43-60)82-67-23-4-8-27-71(67)84(72-28-9-5-24-68(72)82)57-38-45-64-62-20-11-15-32-78(62)91-80(64)50-57/h2-50H,1H3.
What are the key properties of 1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole?
1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole has a molecular weight of 1193.51 g/mol, XLogP of 24.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]-6-[3-[1-[4-(10-dibenzothiophen-3-ylanthracen-9-yl)phenyl]benzimidazol-2-yl]phenyl]-2-methylbenzimidazole is sourced from PubChem (CID 139519800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).