(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole

C170H124N2S2Si — CID 158739465

IUPAC(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole
SMILESC.C.C.C.c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C42H29NSSi.C42H27N.C42H26S.C40H26.4CH4/c1-3-16-31(17-4-1)45(32-18-5-2-6-19-32,41-28-14-24-37-36-23-9-12-27-40(36)44-42(37)41)33-20-13-15-30(29-33)43-38-25-10-7-21-34(38)35-22-8-11-26-39(35)43;1-2-14-35-33(12-1)34-13-3-4-15-36(34)40-27-31(22-25-37(35)40)30-11-9-10-29(26-30)28-20-23-32(24-21-28)43-41-18-7-5-16-38(41)39-17-6-8-19-42(39)43;1-2-11-27(12-3-1)31-19-9-21-38-39-22-10-20-32(42(39)43-41(31)38)30-14-8-13-28(25-30)29-23-24-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-29;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;;;;/h1-29H;1-27H;1-26H;1-26H;4*1H4
InChIKeyIMCJBWCFWGIJSD-UHFFFAOYSA-N
MW2287.10 g/mol
LogP46.47
Rot. Bonds14

About (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole

(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole (PubChem CID 158739465) has the molecular formula C170H124N2S2Si and a molecular weight of 2287.10 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole
PubChem CID158739465
Molecular FormulaC170H124N2S2Si
Molecular Weight2287.10 g/mol
Exact Mass2284.90
IUPAC Name(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole
SMILESC.C.C.C.c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C42H29NSSi.C42H27N.C42H26S.C40H26.4CH4/c1-3-16-31(17-4-1)45(32-18-5-2-6-19-32,41-28-14-24-37-36-23-9-12-27-40(36)44-42(37)41)33-20-13-15-30(29-33)43-38-25-10-7-21-34(38)35-22-8-11-26-39(35)43;1-2-14-35-33(12-1)34-13-3-4-15-36(34)40-27-31(22-25-37(35)40)30-11-9-10-29(26-30)28-20-23-32(24-21-28)43-41-18-7-5-16-38(41)39-17-6-8-19-42(39)43;1-2-11-27(12-3-1)31-19-9-21-38-39-22-10-20-32(42(39)43-41(31)38)30-14-8-13-28(25-30)29-23-24-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-29;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;;;;/h1-29H;1-27H;1-26H;1-26H;4*1H4
InChIKeyIMCJBWCFWGIJSD-UHFFFAOYSA-N
XLogP46.47
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms175
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002287.10
LogP ≤ 546.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole?
The IUPAC name of (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole (CID 158739465) is (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole.
What is the SMILES notation for (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole?
The canonical SMILES for (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole is C.C.C.C.c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2cccc3c2sc2c(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cccc23)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole?
The InChIKey is IMCJBWCFWGIJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NSSi.C42H27N.C42H26S.C40H26.4CH4/c1-3-16-31(17-4-1)45(32-18-5-2-6-19-32,41-28-14-24-37-36-23-9-12-27-40(36)44-42(37)41)33-20-13-15-30(29-33)43-38-25-10-7-21-34(38)35-22-8-11-26-39(35)43;1-2-14-35-33(12-1)34-13-3-4-15-36(34)40-27-31(22-25-37(35)40)30-11-9-10-29(26-30)28-20-23-32(24-21-28)43-41-18-7-5-16-38(41)39-17-6-8-19-42(39)43;1-2-11-27(12-3-1)31-19-9-21-38-39-22-10-20-32(42(39)43-41(31)38)30-14-8-13-28(25-30)29-23-24-37-35-17-5-4-15-33(35)34-16-6-7-18-36(34)40(37)26-29;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;;;;/h1-29H;1-27H;1-26H;1-26H;4*1H4.
What are the key properties of (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole?
(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole has a molecular weight of 2287.10 g/mol, XLogP of 46.47, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-diphenylsilane;methane;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;4-phenyl-6-(3-triphenylen-2-ylphenyl)dibenzothiophene;9-[4-(3-triphenylen-2-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 158739465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).