3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole

C45H32N2S — CID 71232544

IUPAC3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc32)c(C)c1
InChIInChI=1S/C45H32N2S/c1-27-22-28(2)45(29(3)23-27)47-40-14-8-5-11-34(40)37-25-31(17-20-42(37)47)30-16-19-41-36(24-30)33-10-4-7-13-39(33)46(41)32-18-21-44-38(26-32)35-12-6-9-15-43(35)48-44/h4-26H,1-3H3
InChIKeyPTAPRIAKFXRJLK-UHFFFAOYSA-N
MW632.83 g/mol
LogP12.84
Rot. Bonds3

About 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole

3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole (PubChem CID 71232544) has the molecular formula C45H32N2S and a molecular weight of 632.83 g/mol. Its IUPAC name is 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole
PubChem CID71232544
Molecular FormulaC45H32N2S
Molecular Weight632.83 g/mol
Exact Mass632.23
IUPAC Name3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc32)c(C)c1
InChIInChI=1S/C45H32N2S/c1-27-22-28(2)45(29(3)23-27)47-40-14-8-5-11-34(40)37-25-31(17-20-42(37)47)30-16-19-41-36(24-30)33-10-4-7-13-39(33)46(41)32-18-21-44-38(26-32)35-12-6-9-15-43(35)48-44/h4-26H,1-3H3
InChIKeyPTAPRIAKFXRJLK-UHFFFAOYSA-N
XLogP12.84
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.83
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole
CID 71232829
CID 144619443
CID 144619443
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
3-carbazol-9-yl-9-[2,6-di(dibenzothiophen-2-yl)phenyl]carbazole
CID 164733108
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
3-dibenzothiophen-2-yl-9-(6-methylnaphthalen-2-yl)carbazole
CID 145167239
3-carbazol-9-yl-9-(2,4,5-trimethylphenyl)-6-[3-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazol-9-yl]carbazole
CID 71232676
3-dibenzothiophen-2-yl-9-[2,4,5-tris(3-dibenzothiophen-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole
CID 138715596
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole (CID 71232544) is 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc32)c(C)c1.
What is the InChIKey of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole?
The InChIKey is PTAPRIAKFXRJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2S/c1-27-22-28(2)45(29(3)23-27)47-40-14-8-5-11-34(40)37-25-31(17-20-42(37)47)30-16-19-41-36(24-30)33-10-4-7-13-39(33)46(41)32-18-21-44-38(26-32)35-12-6-9-15-43(35)48-44/h4-26H,1-3H3.
What are the key properties of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole?
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 632.83 g/mol, XLogP of 12.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 71232544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).