9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole

C42H28N2S — CID 123602902

IUPAC9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole
SMILESC1=C(n2c3ccccc3c3ccccc32)CCc2c1c1ccccc1n2-c1cccc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C42H28N2S/c1-5-16-37-31(12-1)32-13-2-6-17-38(32)44(37)30-21-22-40-35(26-30)33-14-3-7-18-39(33)43(40)29-11-9-10-27(24-29)28-20-23-42-36(25-28)34-15-4-8-19-41(34)45-42/h1-20,23-26H,21-22H2
InChIKeyKICBWOZOWBKHNI-UHFFFAOYSA-N
MW592.77 g/mol
LogP11.72
Rot. Bonds3

About 9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole

9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole (PubChem CID 123602902) has the molecular formula C42H28N2S and a molecular weight of 592.77 g/mol. Its IUPAC name is 9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole
PubChem CID123602902
Molecular FormulaC42H28N2S
Molecular Weight592.77 g/mol
Exact Mass592.20
IUPAC Name9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole
SMILESC1=C(n2c3ccccc3c3ccccc32)CCc2c1c1ccccc1n2-c1cccc(-c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C42H28N2S/c1-5-16-37-31(12-1)32-13-2-6-17-38(32)44(37)30-21-22-40-35(26-30)33-14-3-7-18-39(33)43(40)29-11-9-10-27(24-29)28-20-23-42-36(25-28)34-15-4-8-19-41(34)45-42/h1-20,23-26H,21-22H2
InChIKeyKICBWOZOWBKHNI-UHFFFAOYSA-N
XLogP11.72
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.77
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 118488408
3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158633685
7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
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-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804
9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole
CID 71232628
2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
CID 118392029

Frequently Asked Questions

What is the IUPAC name of 9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole (CID 123602902) is 9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole is C1=C(n2c3ccccc3c3ccccc32)CCc2c1c1ccccc1n2-c1cccc(-c2ccc3sc4ccccc4c3c2)c1.
What is the InChIKey of 9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole?
The InChIKey is KICBWOZOWBKHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2S/c1-5-16-37-31(12-1)32-13-2-6-17-38(32)44(37)30-21-22-40-35(26-30)33-14-3-7-18-39(33)43(40)29-11-9-10-27(24-29)28-20-23-42-36(25-28)34-15-4-8-19-41(34)45-42/h1-20,23-26H,21-22H2.
What are the key properties of 9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole?
9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole has a molecular weight of 592.77 g/mol, XLogP of 11.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 123602902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).