6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole

C48H29NS2 — CID 123584276

IUPAC6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C48H29NS2/c1-3-11-30(12-4-1)34-27-38(31-13-5-2-6-14-31)48-42(28-34)39-25-32(33-20-23-46-40(26-33)36-15-7-9-17-44(36)50-46)19-22-43(39)49(48)35-21-24-47-41(29-35)37-16-8-10-18-45(37)51-47/h1-29H
InChIKeyIJGCQVGYVDTZSG-UHFFFAOYSA-N
MW683.90 g/mol
LogP14.52
Rot. Bonds4

About 6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole

6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole (PubChem CID 123584276) has the molecular formula C48H29NS2 and a molecular weight of 683.90 g/mol. Its IUPAC name is 6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole.

Molecular Properties

Compound Name6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole
PubChem CID123584276
Molecular FormulaC48H29NS2
Molecular Weight683.90 g/mol
Exact Mass683.17
IUPAC Name6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C48H29NS2/c1-3-11-30(12-4-1)34-27-38(31-13-5-2-6-14-31)48-42(28-34)39-25-32(33-20-23-46-40(26-33)36-15-7-9-17-44(36)50-46)19-22-43(39)49(48)35-21-24-47-41(29-35)37-16-8-10-18-45(37)51-47/h1-29H
InChIKeyIJGCQVGYVDTZSG-UHFFFAOYSA-N
XLogP14.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.90
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole
CID 170072459
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
9-dibenzothiophen-2-yl-N-dibenzothiophen-4-yl-N,6,8-triphenylcarbazol-3-amine
CID 177286488
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
CID 144619443
CID 144619443
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183

Frequently Asked Questions

What is the IUPAC name of 6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole?
The IUPAC name of 6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole (CID 123584276) is 6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole.
What is the SMILES notation for 6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole?
The canonical SMILES for 6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole is c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2cc(-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole?
The InChIKey is IJGCQVGYVDTZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NS2/c1-3-11-30(12-4-1)34-27-38(31-13-5-2-6-14-31)48-42(28-34)39-25-32(33-20-23-46-40(26-33)36-15-7-9-17-44(36)50-46)19-22-43(39)49(48)35-21-24-47-41(29-35)37-16-8-10-18-45(37)51-47/h1-29H.
What are the key properties of 6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole?
6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole has a molecular weight of 683.90 g/mol, XLogP of 14.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole is sourced from PubChem (CID 123584276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).