11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole

C45H28N2S — CID 146541355

IUPAC11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3sc3c4ccc4c3c3ccccc3n4-c3cccc4ccccc34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H28N2S/c1-3-14-30(15-4-1)38-27-32(28-39(46-38)31-16-5-2-6-17-31)34-21-12-22-35-36-25-26-42-43(45(36)48-44(34)35)37-20-9-10-23-41(37)47(42)40-24-11-18-29-13-7-8-19-33(29)40/h1-28H
InChIKeyIEMSVLYYZJGEOR-UHFFFAOYSA-N
MW628.80 g/mol
LogP12.70
Rot. Bonds4

About 11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole

11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 146541355) has the molecular formula C45H28N2S and a molecular weight of 628.80 g/mol. Its IUPAC name is 11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole
PubChem CID146541355
Molecular FormulaC45H28N2S
Molecular Weight628.80 g/mol
Exact Mass628.20
IUPAC Name11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3sc3c4ccc4c3c3ccccc3n4-c3cccc4ccccc34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H28N2S/c1-3-14-30(15-4-1)38-27-32(28-39(46-38)31-16-5-2-6-17-31)34-21-12-22-35-36-25-26-42-43(45(36)48-44(34)35)37-20-9-10-23-41(37)47(42)40-24-11-18-29-13-7-8-19-33(29)40/h1-28H
InChIKeyIEMSVLYYZJGEOR-UHFFFAOYSA-N
XLogP12.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.80
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 164962109
2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole
CID 146541978
5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 155462894
5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole
CID 155631323
2,7-dinaphthalen-1-ylbenzo[c]carbazole
CID 130351339
11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 146541392
5-dibenzofuran-3-yl-11-(2,6-diphenylpyrimidin-4-yl)-[1]benzothiolo[3,2-c]carbazole
CID 146541929
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
12-naphthalen-1-yl-5-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240323
9-[2-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)phenyl]-14-(2-phenylphenyl)-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 155240258
6,24-di(fluoranthen-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 138736477
9-naphthalen-1-yl-14-(6-phenylnaphthalen-1-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 142551551

Frequently Asked Questions

What is the IUPAC name of 11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole (CID 146541355) is 11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2cc(-c3cccc4c3sc3c4ccc4c3c3ccccc3n4-c3cccc4ccccc34)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is IEMSVLYYZJGEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2S/c1-3-14-30(15-4-1)38-27-32(28-39(46-38)31-16-5-2-6-17-31)34-21-12-22-35-36-25-26-42-43(45(36)48-44(34)35)37-20-9-10-23-41(37)47(42)40-24-11-18-29-13-7-8-19-33(29)40/h1-28H.
What are the key properties of 11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole?
11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 628.80 g/mol, XLogP of 12.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 146541355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).