3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole

C31H21NS — CID 147051964

IUPAC3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc2sc3ccccc3c12
InChIInChI=1S/C31H21NS/c1-20-17-22(19-30-31(20)25-12-6-8-14-29(25)33-30)21-15-16-28-26(18-21)24-11-5-7-13-27(24)32(28)23-9-3-2-4-10-23/h2-19H,1H3
InChIKeyBBMJFAQXKLGXAC-UHFFFAOYSA-N
MW439.58 g/mol
LogP9.13
Rot. Bonds2

About 3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole

3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole (PubChem CID 147051964) has the molecular formula C31H21NS and a molecular weight of 439.58 g/mol. Its IUPAC name is 3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole
PubChem CID147051964
Molecular FormulaC31H21NS
Molecular Weight439.58 g/mol
Exact Mass439.14
IUPAC Name3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole
SMILESCc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc2sc3ccccc3c12
InChIInChI=1S/C31H21NS/c1-20-17-22(19-30-31(20)25-12-6-8-14-29(25)33-30)21-15-16-28-26(18-21)24-11-5-7-13-27(24)32(28)23-9-3-2-4-10-23/h2-19H,1H3
InChIKeyBBMJFAQXKLGXAC-UHFFFAOYSA-N
XLogP9.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazole
CID 158654712
CID 146717343
CID 146717343
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
14-phenyl-18-(14-phenyl-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)-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 122593675
3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 155305939
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole
CID 174371073
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
3-(18-carbazol-9-yl-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-6,9-diphenylcarbazole
CID 59147343

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole?
The IUPAC name of 3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole (CID 147051964) is 3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole is Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc2sc3ccccc3c12.
What is the InChIKey of 3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole?
The InChIKey is BBMJFAQXKLGXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NS/c1-20-17-22(19-30-31(20)25-12-6-8-14-29(25)33-30)21-15-16-28-26(18-21)24-11-5-7-13-27(24)32(28)23-9-3-2-4-10-23/h2-19H,1H3.
What are the key properties of 3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole?
3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole has a molecular weight of 439.58 g/mol, XLogP of 9.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 147051964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).