9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole

C31H21NS — CID 146594533

IUPAC9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole
SMILESCc1c(-c2ccccc2-n2c3ccccc3c3ccccc32)ccc2sc3ccccc3c12
InChIInChI=1S/C31H21NS/c1-20-21(18-19-30-31(20)25-13-5-9-17-29(25)33-30)22-10-2-6-14-26(22)32-27-15-7-3-11-23(27)24-12-4-8-16-28(24)32/h2-19H,1H3
InChIKeyKRQQRZITKRNTHH-UHFFFAOYSA-N
MW439.58 g/mol
LogP9.13
Rot. Bonds2

About 9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole

9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole (PubChem CID 146594533) has the molecular formula C31H21NS and a molecular weight of 439.58 g/mol. Its IUPAC name is 9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole
PubChem CID146594533
Molecular FormulaC31H21NS
Molecular Weight439.58 g/mol
Exact Mass439.14
IUPAC Name9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole
SMILESCc1c(-c2ccccc2-n2c3ccccc3c3ccccc32)ccc2sc3ccccc3c12
InChIInChI=1S/C31H21NS/c1-20-21(18-19-30-31(20)25-13-5-9-17-29(25)33-30)22-10-2-6-14-26(22)32-27-15-7-3-11-23(27)24-12-4-8-16-28(24)32/h2-19H,1H3
InChIKeyKRQQRZITKRNTHH-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

3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
7-[2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 126652548
12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167193517
3-carbazol-9-yl-4-dibenzothiophen-1-ylaniline
CID 139566104
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
9-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15(23),16,18,20-undecaen-18-yl)carbazole;9-(4-thiahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(23),2(14),3(11),5,7,9,12,15,17,19,21-undecaen-20-yl)carbazole;9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15(23),16,18,20-undecaen-18-yl)carbazole;9-(10-thiahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(23),2(14),3(11),4,6,8,12,15,17,19,21-undecaen-20-yl)carbazole
CID 160779352
N-[4-(2-carbazol-9-ylphenyl)naphthalen-1-yl]-N-phenyldibenzothiophen-2-amine
CID 167227767
3-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
9-[2-[2-(18-isocyano-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-14-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140822859
4-(2-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227669
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257

Frequently Asked Questions

What is the IUPAC name of 9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole?
The IUPAC name of 9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole (CID 146594533) is 9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole is Cc1c(-c2ccccc2-n2c3ccccc3c3ccccc32)ccc2sc3ccccc3c12.
What is the InChIKey of 9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole?
The InChIKey is KRQQRZITKRNTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NS/c1-20-21(18-19-30-31(20)25-13-5-9-17-29(25)33-30)22-10-2-6-14-26(22)32-27-15-7-3-11-23(27)24-12-4-8-16-28(24)32/h2-19H,1H3.
What are the key properties of 9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole?
9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole 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 9-[2-(1-methyldibenzothiophen-2-yl)phenyl]carbazole is sourced from PubChem (CID 146594533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).