2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole

C49H30N2S — CID 146541978

IUPAC2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3sc3c4ccc4c3c3cc(-c5cccc6ccccc56)ccc3n4-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C49H30N2S/c1-3-14-32(15-4-1)44-30-41(37-20-9-10-24-43(37)50-44)39-23-12-22-38-40-26-28-46-47(49(40)52-48(38)39)42-29-33(36-21-11-16-31-13-7-8-19-35(31)36)25-27-45(42)51(46)34-17-5-2-6-18-34/h1-30H
InChIKeyRAVUPAWQADJPEH-UHFFFAOYSA-N
MW678.86 g/mol
LogP13.85
Rot. Bonds4

About 2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole

2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole (PubChem CID 146541978) has the molecular formula C49H30N2S and a molecular weight of 678.86 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole
PubChem CID146541978
Molecular FormulaC49H30N2S
Molecular Weight678.86 g/mol
Exact Mass678.21
IUPAC Name2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3sc3c4ccc4c3c3cc(-c5cccc6ccccc56)ccc3n4-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C49H30N2S/c1-3-14-32(15-4-1)44-30-41(37-20-9-10-24-43(37)50-44)39-23-12-22-38-40-26-28-46-47(49(40)52-48(38)39)42-29-33(36-21-11-16-31-13-7-8-19-35(31)36)25-27-45(42)51(46)34-17-5-2-6-18-34/h1-30H
InChIKeyRAVUPAWQADJPEH-UHFFFAOYSA-N
XLogP13.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.86
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 146541392
11-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-yl-[1]benzothiolo[3,2-c]carbazole
CID 146541355
19-phenyl-15-[3-(4-phenylquinolin-2-yl)phenyl]-4-thia-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 129141877
2-dibenzofuran-2-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;2-dibenzofuran-3-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-(3-phenylisoquinolin-1-yl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-11-(4-phenylquinolin-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 158009782
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(7,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-6-naphthalen-1-yl-9-phenylcarbazole
CID 157256815
20-(3-phenanthren-9-ylphenyl)-11,24-diphenyl-15-thia-11,24-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18(23),19,21,26-dodecaene
CID 130398241
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
12-[4-(3-dibenzothiophen-2-ylquinoxalin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-dibenzothiophen-4-ylquinoxalin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 158618141
2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 118507640
5-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-[1]benzothiolo[3,2-c]carbazole;2-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 158127290
3-[2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154602092
3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline
CID 138643715

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole (CID 146541978) is 2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2cc(-c3cccc4c3sc3c4ccc4c3c3cc(-c5cccc6ccccc56)ccc3n4-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is RAVUPAWQADJPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2S/c1-3-14-32(15-4-1)44-30-41(37-20-9-10-24-43(37)50-44)39-23-12-22-38-40-26-28-46-47(49(40)52-48(38)39)42-29-33(36-21-11-16-31-13-7-8-19-35(31)36)25-27-45(42)51(46)34-17-5-2-6-18-34/h1-30H.
What are the key properties of 2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole?
2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 678.86 g/mol, XLogP of 13.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-5-phenyl-11-(2-phenylquinolin-4-yl)-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 146541978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).