9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole

C96H58N2S4 — CID 158837485

IUPAC9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4ccc5sc6ccccc6c5c4)c23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4cccc5sc6ccccc6c45)c23)cc1
InChIInChI=1S/2C48H29NS2/c1-3-12-30(13-4-1)32-24-26-40-38(28-32)39-29-33(31-14-5-2-6-15-31)25-27-41(39)49(40)42-20-9-19-37-47-35(18-11-23-45(47)51-48(37)42)34-17-10-22-44-46(34)36-16-7-8-21-43(36)50-44;1-3-11-30(12-4-1)32-21-24-41-38(27-32)39-28-33(31-13-5-2-6-14-31)22-25-42(39)49(41)43-18-9-17-37-47-35(16-10-20-46(47)51-48(37)43)34-23-26-45-40(29-34)36-15-7-8-19-44(36)50-45/h2*1-29H
InChIKeyIXUZCIHPYHJYKA-UHFFFAOYSA-N
MW1367.80 g/mol
LogP29.04
Rot. Bonds8

About 9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole

9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole (PubChem CID 158837485) has the molecular formula C96H58N2S4 and a molecular weight of 1367.80 g/mol. Its IUPAC name is 9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
PubChem CID158837485
Molecular FormulaC96H58N2S4
Molecular Weight1367.80 g/mol
Exact Mass1366.35
IUPAC Name9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4ccc5sc6ccccc6c5c4)c23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4cccc5sc6ccccc6c45)c23)cc1
InChIInChI=1S/2C48H29NS2/c1-3-12-30(13-4-1)32-24-26-40-38(28-32)39-29-33(31-14-5-2-6-15-31)25-27-41(39)49(40)42-20-9-19-37-47-35(18-11-23-45(47)51-48(37)42)34-17-10-22-44-46(34)36-16-7-8-21-43(36)50-44;1-3-11-30(12-4-1)32-21-24-41-38(27-32)39-28-33(31-13-5-2-6-14-31)22-25-42(39)49(41)43-18-9-17-37-47-35(16-10-20-46(47)51-48(37)43)34-23-26-45-40(29-34)36-15-7-8-19-44(36)50-45/h2*1-29H
InChIKeyIXUZCIHPYHJYKA-UHFFFAOYSA-N
XLogP29.04
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001367.80
LogP ≤ 529.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole with MolForge

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Related Compounds

3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158873491
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)carbazole
CID 162055088
9-(9-dibenzothiophen-1-yl-6-phenyldibenzothiophen-4-yl)-3,6-dimethylcarbazole;9-(9-dibenzothiophen-1-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-4-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 159688864
9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 161330058
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078
3-(6-carbazol-9-yl-8-phenyldibenzothiophen-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 58059112

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole?
The IUPAC name of 9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole (CID 158837485) is 9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole.
What is the SMILES notation for 9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole?
The canonical SMILES for 9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4ccc5sc6ccccc6c5c4)c23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4cccc5sc6ccccc6c45)c23)cc1.
What is the InChIKey of 9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole?
The InChIKey is IXUZCIHPYHJYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H29NS2/c1-3-12-30(13-4-1)32-24-26-40-38(28-32)39-29-33(31-14-5-2-6-15-31)25-27-41(39)49(40)42-20-9-19-37-47-35(18-11-23-45(47)51-48(37)42)34-17-10-22-44-46(34)36-16-7-8-21-43(36)50-44;1-3-11-30(12-4-1)32-21-24-41-38(27-32)39-28-33(31-13-5-2-6-14-31)22-25-42(39)49(41)43-18-9-17-37-47-35(16-10-20-46(47)51-48(37)43)34-23-26-45-40(29-34)36-15-7-8-19-44(36)50-45/h2*1-29H.
What are the key properties of 9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole?
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole has a molecular weight of 1367.80 g/mol, XLogP of 29.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole is sourced from PubChem (CID 158837485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).