5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole

C28H16BrNS — CID 134530430

IUPAC5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole
SMILESBrc1cc2c3ccccc3sc2c2c1c1ccccc1n2-c1cccc2ccccc12
InChIInChI=1S/C28H16BrNS/c29-22-16-21-19-11-4-6-15-25(19)31-28(21)27-26(22)20-12-3-5-13-24(20)30(27)23-14-7-9-17-8-1-2-10-18(17)23/h1-16H
InChIKeyBLPBNJOKZTVJCA-UHFFFAOYSA-N
MW478.41 g/mol
LogP9.07
Rot. Bonds1

About 5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole

5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole (PubChem CID 134530430) has the molecular formula C28H16BrNS and a molecular weight of 478.41 g/mol. Its IUPAC name is 5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole
PubChem CID134530430
Molecular FormulaC28H16BrNS
Molecular Weight478.41 g/mol
Exact Mass477.02
IUPAC Name5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole
SMILESBrc1cc2c3ccccc3sc2c2c1c1ccccc1n2-c1cccc2ccccc12
InChIInChI=1S/C28H16BrNS/c29-22-16-21-19-11-4-6-15-25(19)31-28(21)27-26(22)20-12-3-5-13-24(20)30(27)23-14-7-9-17-8-1-2-10-18(17)23/h1-16H
InChIKeyBLPBNJOKZTVJCA-UHFFFAOYSA-N
XLogP9.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.41
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-naphthalen-1-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118503133
12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 134530240
9-naphthalen-1-yl-14-(4-phenyldibenzothiophen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138623566
12-naphthalen-2-yl-5-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-naphthalen-2-yl-5-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole
CID 159922238
5-(9-naphthalen-1-ylcarbazol-3-yl)-12-(4-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole;12-(3-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 160706805
9,19-dinaphthalen-1-yl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene
CID 135163071
CID 152782904
CID 152782904
N,N,24-trinaphthalen-1-yl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine
CID 129038166
12-dibenzothiophen-1-yl-9-thia-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359124
12-phenyl-5-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-a]carbazole
CID 134530248
3-(3-bromo-5-dibenzothiophen-3-ylphenyl)-9-naphthalen-1-ylcarbazole
CID 122666250
12-phenanthren-9-yl-[1]benzothiolo[2,3-a]carbazole
CID 118502908

Frequently Asked Questions

What is the IUPAC name of 5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole (CID 134530430) is 5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole is Brc1cc2c3ccccc3sc2c2c1c1ccccc1n2-c1cccc2ccccc12.
What is the InChIKey of 5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is BLPBNJOKZTVJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16BrNS/c29-22-16-21-19-11-4-6-15-25(19)31-28(21)27-26(22)20-12-3-5-13-24(20)30(27)23-14-7-9-17-8-1-2-10-18(17)23/h1-16H.
What are the key properties of 5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole?
5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 478.41 g/mol, XLogP of 9.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-12-naphthalen-1-yl-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 134530430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).