12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole

C52H32N2S — CID 134530240

IUPAC12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5cccc6ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C52H32N2S/c1-2-13-33(14-3-1)34-25-28-37(29-26-34)53-46-21-9-6-18-39(46)43-31-36(27-30-48(43)53)42-32-44-40-19-8-11-24-49(40)55-52(44)51-50(42)41-20-7-10-22-47(41)54(51)45-23-12-16-35-15-4-5-17-38(35)45/h1-32H
InChIKeyYRAQPKYLXLTAKN-UHFFFAOYSA-N
MW716.91 g/mol
LogP14.74
Rot. Bonds4

About 12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole

12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole (PubChem CID 134530240) has the molecular formula C52H32N2S and a molecular weight of 716.91 g/mol. Its IUPAC name is 12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
PubChem CID134530240
Molecular FormulaC52H32N2S
Molecular Weight716.91 g/mol
Exact Mass716.23
IUPAC Name12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5cccc6ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C52H32N2S/c1-2-13-33(14-3-1)34-25-28-37(29-26-34)53-46-21-9-6-18-39(46)43-31-36(27-30-48(43)53)42-32-44-40-19-8-11-24-49(40)55-52(44)51-50(42)41-20-7-10-22-47(41)54(51)45-23-12-16-35-15-4-5-17-38(35)45/h1-32H
InChIKeyYRAQPKYLXLTAKN-UHFFFAOYSA-N
XLogP14.74
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.91
LogP ≤ 514.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
12-phenyl-5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 160860799
5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 134530228
12-naphthalen-2-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-2-yl-6-(9-naphthalen-2-ylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole;12-naphthalen-1-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole
CID 159473458
6-(9-naphthalen-1-ylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole;6-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[3,2-a]carbazole;12-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[3,2-a]carbazole
CID 161013402
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(3-phenylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 121343953
12-naphthalen-2-yl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 134530208
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
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-1-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-a]carbazole
CID 159358561

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole (CID 134530240) is 12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc6c7ccccc7sc6c6c5c5ccccc5n6-c5cccc6ccccc56)ccc43)cc2)cc1.
What is the InChIKey of 12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is YRAQPKYLXLTAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S/c1-2-13-33(14-3-1)34-25-28-37(29-26-34)53-46-21-9-6-18-39(46)43-31-36(27-30-48(43)53)42-32-44-40-19-8-11-24-49(40)55-52(44)51-50(42)41-20-7-10-22-47(41)54(51)45-23-12-16-35-15-4-5-17-38(35)45/h1-32H.
What are the key properties of 12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole?
12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 716.91 g/mol, XLogP of 14.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-naphthalen-1-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 134530240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).