12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole

C49H30N2S — CID 170284179

IUPAC12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)-c5ccc(-c7cccc8c7sc7ccccc78)cc5C6)c4c32)cc1
InChIInChI=1S/C49H30N2S/c1-2-11-33(12-3-1)50-44-18-7-4-13-37(44)40-25-26-41-38-14-5-8-19-45(38)51(48(41)47(40)50)34-23-21-31-28-32-27-30(22-24-35(32)43(31)29-34)36-16-10-17-42-39-15-6-9-20-46(39)52-49(36)42/h1-27,29H,28H2
InChIKeyVECZNCYLUFIXLY-UHFFFAOYSA-N
MW678.86 g/mol
LogP13.49
Rot. Bonds3

About 12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole

12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 170284179) has the molecular formula C49H30N2S and a molecular weight of 678.86 g/mol. Its IUPAC name is 12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole
PubChem CID170284179
Molecular FormulaC49H30N2S
Molecular Weight678.86 g/mol
Exact Mass678.21
IUPAC Name12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)-c5ccc(-c7cccc8c7sc7ccccc78)cc5C6)c4c32)cc1
InChIInChI=1S/C49H30N2S/c1-2-11-33(12-3-1)50-44-18-7-4-13-37(44)40-25-26-41-38-14-5-8-19-45(38)51(48(41)47(40)50)34-23-21-31-28-32-27-30(22-24-35(32)43(31)29-34)36-16-10-17-42-39-15-6-9-20-46(39)52-49(36)42/h1-27,29H,28H2
InChIKeyVECZNCYLUFIXLY-UHFFFAOYSA-N
XLogP13.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.86
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[3-[4-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 167337151
12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 170284217
10-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 118562678
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]carbazole;1,3-dibromobenzene;4-(9H-fluoren-3-yl)dibenzothiophene
CID 159985652
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282
11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole
CID 130409428
12-(3-dibenzothiophen-4-ylphenyl)-11-(3-ethylphenyl)indolo[2,3-a]carbazole
CID 118504650
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
5-(9H-fluoren-3-yl)-12-phenylindolo[3,2-c]carbazole
CID 121289125
5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 160917580
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
3-(4-carbazol-9-yl-2-methylphenyl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 121287072

Frequently Asked Questions

What is the IUPAC name of 12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole (CID 170284179) is 12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)-c5ccc(-c7cccc8c7sc7ccccc78)cc5C6)c4c32)cc1.
What is the InChIKey of 12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is VECZNCYLUFIXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2S/c1-2-11-33(12-3-1)50-44-18-7-4-13-37(44)40-25-26-41-38-14-5-8-19-45(38)51(48(41)47(40)50)34-23-21-31-28-32-27-30(22-24-35(32)43(31)29-34)36-16-10-17-42-39-15-6-9-20-46(39)52-49(36)42/h1-27,29H,28H2.
What are the key properties of 12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole?
12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole has a molecular weight of 678.86 g/mol, XLogP of 13.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(7-dibenzothiophen-4-yl-9H-fluoren-3-yl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 170284179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).