9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole

C49H29N3OS — CID 156574736

IUPAC9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-n2c(-c3ccc4c(oc5c(-n6c7ccccc7c7ccccc76)cccc54)c3-c3cccc4sc5ccccc5c34)nc3ccccc32)cc1
InChIInChI=1S/C49H29N3OS/c1-2-14-30(15-3-1)51-41-24-10-7-21-38(41)50-49(51)37-29-28-34-33-19-12-25-42(52-39-22-8-4-16-31(39)32-17-5-9-23-40(32)52)47(33)53-48(34)46(37)36-20-13-27-44-45(36)35-18-6-11-26-43(35)54-44/h1-29H
InChIKeyNHADUQPLRWRQLN-UHFFFAOYSA-N
MW707.86 g/mol
LogP13.72
Rot. Bonds4

About 9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole

9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole (PubChem CID 156574736) has the molecular formula C49H29N3OS and a molecular weight of 707.86 g/mol. Its IUPAC name is 9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole
PubChem CID156574736
Molecular FormulaC49H29N3OS
Molecular Weight707.86 g/mol
Exact Mass707.20
IUPAC Name9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-n2c(-c3ccc4c(oc5c(-n6c7ccccc7c7ccccc76)cccc54)c3-c3cccc4sc5ccccc5c34)nc3ccccc32)cc1
InChIInChI=1S/C49H29N3OS/c1-2-14-30(15-3-1)51-41-24-10-7-21-38(41)50-49(51)37-29-28-34-33-19-12-25-42(52-39-22-8-4-16-31(39)32-17-5-9-23-40(32)52)47(33)53-48(34)46(37)36-20-13-27-44-45(36)35-18-6-11-26-43(35)54-44/h1-29H
InChIKeyNHADUQPLRWRQLN-UHFFFAOYSA-N
XLogP13.72
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.86
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[6-dibenzofuran-2-yl-9-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]-[1]benzothiolo[2,3-a]carbazole
CID 156574801
12,12-dimethyl-11-[9-(1-phenylbenzimidazol-2-yl)-6-(4-phenylphenyl)dibenzofuran-4-yl]indeno[2,1-a]carbazole
CID 156574722
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
6-dibenzothiophen-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827737
9-[6-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 168721833
2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-1-phenylbenzimidazole
CID 152829273
2-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-1-phenylbenzimidazole
CID 147371155
9-(9-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)carbazole-2-carbonitrile
CID 159092725
2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-1-phenylbenzimidazole
CID 147878529
1-[3-(10-dibenzothiophen-1-yl-3-phenylanthracen-9-yl)phenyl]-2-methylbenzimidazole
CID 170236586
2-[9-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole;2-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 160957839

Frequently Asked Questions

What is the IUPAC name of 9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole (CID 156574736) is 9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole is c1ccc(-n2c(-c3ccc4c(oc5c(-n6c7ccccc7c7ccccc76)cccc54)c3-c3cccc4sc5ccccc5c34)nc3ccccc32)cc1.
What is the InChIKey of 9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is NHADUQPLRWRQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3OS/c1-2-14-30(15-3-1)51-41-24-10-7-21-38(41)50-49(51)37-29-28-34-33-19-12-25-42(52-39-22-8-4-16-31(39)32-17-5-9-23-40(32)52)47(33)53-48(34)46(37)36-20-13-27-44-45(36)35-18-6-11-26-43(35)54-44/h1-29H.
What are the key properties of 9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole?
9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole has a molecular weight of 707.86 g/mol, XLogP of 13.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-dibenzothiophen-1-yl-7-(1-phenylbenzimidazol-2-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 156574736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).