3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole

C27H23NS — CID 164832563

IUPAC3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole
SMILESCC(C)n1c2ccccc2c2cc(-c3ccc4c(c3)C3C=CC=CC3S4)ccc21
InChIInChI=1S/C27H23NS/c1-17(2)28-24-9-5-3-7-20(24)22-15-18(11-13-25(22)28)19-12-14-27-23(16-19)21-8-4-6-10-26(21)29-27/h3-17,21,26H,1-2H3
InChIKeyPKYGVLIUIYSWEZ-UHFFFAOYSA-N
MW393.56 g/mol
LogP7.73
Rot. Bonds2

About 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole

3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole (PubChem CID 164832563) has the molecular formula C27H23NS and a molecular weight of 393.56 g/mol. Its IUPAC name is 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole.

Molecular Properties

Compound Name3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole
PubChem CID164832563
Molecular FormulaC27H23NS
Molecular Weight393.56 g/mol
Exact Mass393.16
IUPAC Name3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole
SMILESCC(C)n1c2ccccc2c2cc(-c3ccc4c(c3)C3C=CC=CC3S4)ccc21
InChIInChI=1S/C27H23NS/c1-17(2)28-24-9-5-3-7-20(24)22-15-18(11-13-25(22)28)19-12-14-27-23(16-19)21-8-4-6-10-26(21)29-27/h3-17,21,26H,1-2H3
InChIKeyPKYGVLIUIYSWEZ-UHFFFAOYSA-N
XLogP7.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole
CID 144650069
9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole
CID 153201304
2-[3-[3-(5a,9a-dihydrodibenzothiophen-2-yl)phenyl]phenyl]dibenzothiophene
CID 163579356
9-propan-2-yl-2-(9-propan-2-ylcarbazol-2-yl)carbazole
CID 170205010
11-[3-[3-[4-(5a,9a-dihydrodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole
CID 166917497
5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 123711389
N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine
CID 170177943
3-(9-phenylcarbazol-2-yl)-9-propan-2-ylcarbazole
CID 134236460
ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole
CID 165044718
10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole
CID 118345157
3-(5a,9a-dihydrodibenzothiophen-4-yl)-9-(2-anthracen-9-ylphenyl)carbazole
CID 123217032
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997

Frequently Asked Questions

What is the IUPAC name of 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole?
The IUPAC name of 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole (CID 164832563) is 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole.
What is the SMILES notation for 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole?
The canonical SMILES for 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole is CC(C)n1c2ccccc2c2cc(-c3ccc4c(c3)C3C=CC=CC3S4)ccc21.
What is the InChIKey of 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole?
The InChIKey is PKYGVLIUIYSWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NS/c1-17(2)28-24-9-5-3-7-20(24)22-15-18(11-13-25(22)28)19-12-14-27-23(16-19)21-8-4-6-10-26(21)29-27/h3-17,21,26H,1-2H3.
What are the key properties of 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole?
3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole has a molecular weight of 393.56 g/mol, XLogP of 7.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole is sourced from PubChem (CID 164832563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).