5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole

C36H22N2S — CID 170393989

IUPAC5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc32)cc1
InChIInChI=1S/C36H22N2S/c1-2-10-23(11-3-1)37-30-15-7-4-12-25(30)26-19-18-24(22-33(26)37)38-31-16-8-5-14-29(31)35-32(38)21-20-28-27-13-6-9-17-34(27)39-36(28)35/h1-22H
InChIKeyXMQPRISDZREPBW-UHFFFAOYSA-N
MW514.65 g/mol
LogP10.25
Rot. Bonds2

About 5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole

5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 170393989) has the molecular formula C36H22N2S and a molecular weight of 514.65 g/mol. Its IUPAC name is 5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID170393989
Molecular FormulaC36H22N2S
Molecular Weight514.65 g/mol
Exact Mass514.15
IUPAC Name5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc32)cc1
InChIInChI=1S/C36H22N2S/c1-2-10-23(11-3-1)37-30-15-7-4-12-25(30)26-19-18-24(22-33(26)37)38-31-16-8-5-14-29(31)35-32(38)21-20-28-27-13-6-9-17-34(27)39-36(28)35/h1-22H
InChIKeyXMQPRISDZREPBW-UHFFFAOYSA-N
XLogP10.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,24-bis(9-phenylcarbazol-2-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736429
6-phenyl-24-(9-phenylcarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 118391181
5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole
CID 90057155
5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole
CID 168744298
5-(3-methylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121339080
6,24-bis(4-carbazol-9-ylphenyl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736430
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole;5-phenyl-2-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazole;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 162164972
2-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-5-carbazol-9-ylbenzonitrile;5-carbazol-9-yl-2-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]benzonitrile
CID 163732125
N,5-diphenyl-N-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 89448189
5-(3-phenylphenyl)-24-(4-phenylphenyl)-15-thia-5,24-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2,4(12),6,8,10,13,17(25),18,20,22,26-dodecaene
CID 171588281
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 171402662
5-[4-[4-(3-tert-butylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 167193144

Frequently Asked Questions

What is the IUPAC name of 5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole (CID 170393989) is 5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)cc32)cc1.
What is the InChIKey of 5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is XMQPRISDZREPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2S/c1-2-10-23(11-3-1)37-30-15-7-4-12-25(30)26-19-18-24(22-33(26)37)38-31-16-8-5-14-29(31)35-32(38)21-20-28-27-13-6-9-17-34(27)39-36(28)35/h1-22H.
What are the key properties of 5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole?
5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 514.65 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 170393989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).