3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole

C48H29NS2 — CID 139496588

IUPAC3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6sc7ccccc7c6c5)c(-c5ccc6sc7ccccc7c6c5)ccc43)cc2)cc1
InChIInChI=1S/C48H29NS2/c1-2-10-30(11-3-1)31-18-22-34(23-19-31)49-41-15-7-4-14-38(41)48-42(49)25-24-35(32-20-26-45-39(28-32)36-12-5-8-16-43(36)50-45)47(48)33-21-27-46-40(29-33)37-13-6-9-17-44(37)51-46/h1-29H
InChIKeyKGKXUDSEJVVYCB-UHFFFAOYSA-N
MW683.90 g/mol
LogP14.52
Rot. Bonds4

About 3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole

3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole (PubChem CID 139496588) has the molecular formula C48H29NS2 and a molecular weight of 683.90 g/mol. Its IUPAC name is 3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole
PubChem CID139496588
Molecular FormulaC48H29NS2
Molecular Weight683.90 g/mol
Exact Mass683.17
IUPAC Name3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6sc7ccccc7c6c5)c(-c5ccc6sc7ccccc7c6c5)ccc43)cc2)cc1
InChIInChI=1S/C48H29NS2/c1-2-10-30(11-3-1)31-18-22-34(23-19-31)49-41-15-7-4-14-38(41)48-42(49)25-24-35(32-20-26-45-39(28-32)36-12-5-8-16-43(36)50-45)47(48)33-21-27-46-40(29-33)37-13-6-9-17-44(37)51-46/h1-29H
InChIKeyKGKXUDSEJVVYCB-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

9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
14-(4-phenylphenyl)-18-[4-[4-[14-(4-phenylphenyl)-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-nonaen-18-yl]naphthalen-1-yl]naphthalen-1-yl]-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 122593702
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
7-dibenzothiophen-2-yl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122599828
12-dibenzothiophen-2-yl-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598840
9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069

Frequently Asked Questions

What is the IUPAC name of 3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole (CID 139496588) is 3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6sc7ccccc7c6c5)c(-c5ccc6sc7ccccc7c6c5)ccc43)cc2)cc1.
What is the InChIKey of 3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole?
The InChIKey is KGKXUDSEJVVYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NS2/c1-2-10-30(11-3-1)31-18-22-34(23-19-31)49-41-15-7-4-14-38(41)48-42(49)25-24-35(32-20-26-45-39(28-32)36-12-5-8-16-43(36)50-45)47(48)33-21-27-46-40(29-33)37-13-6-9-17-44(37)51-46/h1-29H.
What are the key properties of 3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole?
3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole 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 3,4-di(dibenzothiophen-2-yl)-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 139496588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).