3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole

C49H31N3S — CID 71232770

IUPAC3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
SMILESCn1c2ccccc2c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)ccc21
InChIInChI=1S/C49H31N3S/c1-50-42-14-6-2-10-34(42)40-28-32(20-24-43(40)50)51-44-15-7-3-11-35(44)38-26-30(18-22-46(38)51)31-19-23-47-39(27-31)36-12-4-8-16-45(36)52(47)33-21-25-49-41(29-33)37-13-5-9-17-48(37)53-49/h2-29H,1H3
InChIKeyAZBBPBMZPITAQY-UHFFFAOYSA-N
MW693.88 g/mol
LogP13.56
Rot. Bonds3

About 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole

3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole (PubChem CID 71232770) has the molecular formula C49H31N3S and a molecular weight of 693.88 g/mol. Its IUPAC name is 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
PubChem CID71232770
Molecular FormulaC49H31N3S
Molecular Weight693.88 g/mol
Exact Mass693.22
IUPAC Name3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
SMILESCn1c2ccccc2c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)ccc21
InChIInChI=1S/C49H31N3S/c1-50-42-14-6-2-10-34(42)40-28-32(20-24-43(40)50)51-44-15-7-3-11-35(44)38-26-30(18-22-46(38)51)31-19-23-47-39(27-31)36-12-4-8-16-45(36)52(47)33-21-25-49-41(29-33)37-13-5-9-17-48(37)53-49/h2-29H,1H3
InChIKeyAZBBPBMZPITAQY-UHFFFAOYSA-N
XLogP13.56
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.88
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 144619443
CID 144619443
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
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-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-(8-carbazol-9-yldibenzothiophen-2-yl)-9-phenylcarbazole;ethane;methanethiol
CID 144644614
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole
CID 71232544
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole?
The IUPAC name of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole (CID 71232770) is 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole is Cn1c2ccccc2c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)ccc21.
What is the InChIKey of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole?
The InChIKey is AZBBPBMZPITAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3S/c1-50-42-14-6-2-10-34(42)40-28-32(20-24-43(40)50)51-44-15-7-3-11-35(44)38-26-30(18-22-46(38)51)31-19-23-47-39(27-31)36-12-4-8-16-45(36)52(47)33-21-25-49-41(29-33)37-13-5-9-17-48(37)53-49/h2-29H,1H3.
What are the key properties of 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole?
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole has a molecular weight of 693.88 g/mol, XLogP of 13.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole is sourced from PubChem (CID 71232770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).