2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene

C77H54BBr2N3O2S3 — CID 159306062

IUPAC2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene
SMILESBrc1ccc2ccc(Br)cc2c1.CC1(C)OB(c2ccc(-c3cccc4c3sc3ccccc34)nc2)OC1(C)C.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc5ccc(-c6ccc(-c7cccc8c7sc7ccccc78)nc6)cc5c4)cn3)cccc12
InChIInChI=1S/C44H26N2S2.C23H22BNO2S.C10H6Br2/c1-3-13-41-33(7-1)35-9-5-11-37(43(35)47-41)39-21-19-30(25-45-39)28-17-15-27-16-18-29(24-32(27)23-28)31-20-22-40(46-26-31)38-12-6-10-36-34-8-2-4-14-42(34)48-44(36)38;1-22(2)23(3,4)27-24(26-22)15-12-13-19(25-14-15)18-10-7-9-17-16-8-5-6-11-20(16)28-21(17)18;11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-26H;5-14H,1-4H3;1-6H
InChIKeyLBXXFOYXIWOTCO-UHFFFAOYSA-N
MW1320.12 g/mol
LogP22.81
Rot. Bonds6

About 2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene

2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene (PubChem CID 159306062) has the molecular formula C77H54BBr2N3O2S3 and a molecular weight of 1320.12 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene
PubChem CID159306062
Molecular FormulaC77H54BBr2N3O2S3
Molecular Weight1320.12 g/mol
Exact Mass1317.18
IUPAC Name2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene
SMILESBrc1ccc2ccc(Br)cc2c1.CC1(C)OB(c2ccc(-c3cccc4c3sc3ccccc34)nc2)OC1(C)C.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc5ccc(-c6ccc(-c7cccc8c7sc7ccccc78)nc6)cc5c4)cn3)cccc12
InChIInChI=1S/C44H26N2S2.C23H22BNO2S.C10H6Br2/c1-3-13-41-33(7-1)35-9-5-11-37(43(35)47-41)39-21-19-30(25-45-39)28-17-15-27-16-18-29(24-32(27)23-28)31-20-22-40(46-26-31)38-12-6-10-36-34-8-2-4-14-42(34)48-44(36)38;1-22(2)23(3,4)27-24(26-22)15-12-13-19(25-14-15)18-10-7-9-17-16-8-5-6-11-20(16)28-21(17)18;11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-26H;5-14H,1-4H3;1-6H
InChIKeyLBXXFOYXIWOTCO-UHFFFAOYSA-N
XLogP22.81
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001320.12
LogP ≤ 522.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene with MolForge

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Related Compounds

[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293440
5-(10-dibenzothiophen-4-ylanthracen-9-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 142353423
2-dibenzothiophen-4-yl-4-phenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 149165820
2-dibenzothiophen-4-yl-5-[7-[3-ethyl-5-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 170294144
3-(6-dibenzothiophen-4-yl-3-pyridinyl)-7-(4-fluorophenyl)quinoline
CID 169293933
5-[6-(6-dibenzofuran-4-yl-3-pyridinyl)naphthalen-2-yl]-2-dibenzothiophen-4-ylpyrimidine
CID 118477915
[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
CID 169293747
2-dibenzothiophen-4-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162118149
4,4,5,5-tetramethyl-2-(6-phenyldibenzothiophen-3-yl)-1,3,2-dioxaborolane
CID 159507352
4-[9,9-bis(trideuteriomethyl)fluoren-2-yl]dibenzothiophene;4-bromodibenzothiophene;4,4,5,5-tetramethyl-2-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-1,3,2-dioxaborolane
CID 159043844
2-dibenzofuran-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 123749789
2,4-diphenyl-6-[3-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 158014089

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene?
The IUPAC name of 2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene (CID 159306062) is 2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene.
What is the SMILES notation for 2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene?
The canonical SMILES for 2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene is Brc1ccc2ccc(Br)cc2c1.CC1(C)OB(c2ccc(-c3cccc4c3sc3ccccc34)nc2)OC1(C)C.c1ccc2c(c1)sc1c(-c3ccc(-c4ccc5ccc(-c6ccc(-c7cccc8c7sc7ccccc78)nc6)cc5c4)cn3)cccc12.
What is the InChIKey of 2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene?
The InChIKey is LBXXFOYXIWOTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2S2.C23H22BNO2S.C10H6Br2/c1-3-13-41-33(7-1)35-9-5-11-37(43(35)47-41)39-21-19-30(25-45-39)28-17-15-27-16-18-29(24-32(27)23-28)31-20-22-40(46-26-31)38-12-6-10-36-34-8-2-4-14-42(34)48-44(36)38;1-22(2)23(3,4)27-24(26-22)15-12-13-19(25-14-15)18-10-7-9-17-16-8-5-6-11-20(16)28-21(17)18;11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-26H;5-14H,1-4H3;1-6H.
What are the key properties of 2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene?
2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene has a molecular weight of 1320.12 g/mol, XLogP of 22.81, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine;2-dibenzothiophen-4-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2,7-dibromonaphthalene is sourced from PubChem (CID 159306062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).