9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole

C53H33N3S — CID 163417517

IUPAC9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole
SMILESc1ccc(-c2cccc(-n3c(-c4ccc(-n5c6cc(-c7ccc8sc9ccccc9c8c7)ccc6c6c7ccccc7ccc65)cc4)nc4ccccc43)c2)cc1
InChIInChI=1S/C53H33N3S/c1-2-11-34(12-3-1)37-14-10-15-41(31-37)56-47-19-8-7-18-46(47)54-53(56)36-21-26-40(27-22-36)55-48-29-24-35-13-4-5-16-42(35)52(48)44-28-23-39(33-49(44)55)38-25-30-51-45(32-38)43-17-6-9-20-50(43)57-51/h1-33H
InChIKeyAFSDYWNIGMKSGX-UHFFFAOYSA-N
MW743.94 g/mol
LogP14.64
Rot. Bonds5

About 9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole

9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole (PubChem CID 163417517) has the molecular formula C53H33N3S and a molecular weight of 743.94 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole
PubChem CID163417517
Molecular FormulaC53H33N3S
Molecular Weight743.94 g/mol
Exact Mass743.24
IUPAC Name9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole
SMILESc1ccc(-c2cccc(-n3c(-c4ccc(-n5c6cc(-c7ccc8sc9ccccc9c8c7)ccc6c6c7ccccc7ccc65)cc4)nc4ccccc43)c2)cc1
InChIInChI=1S/C53H33N3S/c1-2-11-34(12-3-1)37-14-10-15-41(31-37)56-47-19-8-7-18-46(47)54-53(56)36-21-26-40(27-22-36)55-48-29-24-35-13-4-5-16-42(35)52(48)44-28-23-39(33-49(44)55)38-25-30-51-45(32-38)43-17-6-9-20-50(43)57-51/h1-33H
InChIKeyAFSDYWNIGMKSGX-UHFFFAOYSA-N
XLogP14.64
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.94
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(3-benzo[c]carbazol-7-ylphenyl)-1,2-diphenylnaphtho[1,2-e]benzimidazole
CID 138746461
9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(4-dibenzothiophen-2-ylphenyl)-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 161368437
1-[4-(10-naphtho[1,2-b][1]benzothiol-8-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 118503706
1-[3-(10-dibenzothiophen-2-yl-3-phenylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
CID 169071190
3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole
CID 88866647
9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481266
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
9-dibenzothiophen-2-yl-12-[4-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149748
2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;1-[4-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole;2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 160884959
17-benzo[c]carbazol-7-yl-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 155006696
5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504656
6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
CID 169278825

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole (CID 163417517) is 9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole is c1ccc(-c2cccc(-n3c(-c4ccc(-n5c6cc(-c7ccc8sc9ccccc9c8c7)ccc6c6c7ccccc7ccc65)cc4)nc4ccccc43)c2)cc1.
What is the InChIKey of 9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole?
The InChIKey is AFSDYWNIGMKSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3S/c1-2-11-34(12-3-1)37-14-10-15-41(31-37)56-47-19-8-7-18-46(47)54-53(56)36-21-26-40(27-22-36)55-48-29-24-35-13-4-5-16-42(35)52(48)44-28-23-39(33-49(44)55)38-25-30-51-45(32-38)43-17-6-9-20-50(43)57-51/h1-33H.
What are the key properties of 9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole?
9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole has a molecular weight of 743.94 g/mol, XLogP of 14.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-7-[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]benzo[c]carbazole is sourced from PubChem (CID 163417517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).