2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane

C67H44Br2NO2PS2 — CID 159107744

IUPAC2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane
SMILESBrc1ccc2c(c1)Cc1cc(-c3ccc4sc5ccccc5c4c3)ccc1-2.O=[N+]([O-])c1cc(Br)ccc1-c1ccc(-c2ccc3sc4ccccc4c3c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H15BrS.C24H14BrNO2S.C18H15P/c26-19-7-9-21-18(13-19)12-17-11-15(5-8-20(17)21)16-6-10-25-23(14-16)22-3-1-2-4-24(22)27-25;25-18-10-11-19(22(14-18)26(27)28)16-7-5-15(6-8-16)17-9-12-24-21(13-17)20-3-1-2-4-23(20)29-24;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-11,13-14H,12H2;1-14H;1-15H
InChIKeyKECHTXROZXMEDJ-UHFFFAOYSA-N
MW1150.01 g/mol
LogP19.56
Rot. Bonds7

About 2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane

2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane (PubChem CID 159107744) has the molecular formula C67H44Br2NO2PS2 and a molecular weight of 1150.01 g/mol. Its IUPAC name is 2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane.

Molecular Properties

Compound Name2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane
PubChem CID159107744
Molecular FormulaC67H44Br2NO2PS2
Molecular Weight1150.01 g/mol
Exact Mass1147.09
IUPAC Name2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane
SMILESBrc1ccc2c(c1)Cc1cc(-c3ccc4sc5ccccc5c4c3)ccc1-2.O=[N+]([O-])c1cc(Br)ccc1-c1ccc(-c2ccc3sc4ccccc4c3c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H15BrS.C24H14BrNO2S.C18H15P/c26-19-7-9-21-18(13-19)12-17-11-15(5-8-20(17)21)16-6-10-25-23(14-16)22-3-1-2-4-24(22)27-25;25-18-10-11-19(22(14-18)26(27)28)16-7-5-15(6-8-16)17-9-12-24-21(13-17)20-3-1-2-4-23(20)29-24;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-11,13-14H,12H2;1-14H;1-15H
InChIKeyKECHTXROZXMEDJ-UHFFFAOYSA-N
XLogP19.56
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001150.01
LogP ≤ 519.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

20-(4-bromo-2-nitrophenyl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;25-bromo-32-thiaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,23(28),24,26,29-pentadecaene
CID 158014832
2-(2-nitrophenyl)dibenzothiophene
CID 66585334
3-bromo-7-(4-bromo-2-nitrophenyl)dibenzothiophene
CID 142739926
beryllium;2-bromodibenzofuran;2-bromodibenzothiophene;9-bromo-7-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazole;2-(4-bromo-2-nitrophenyl)dibenzofuran;2-dibenzofuran-2-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,4-dibromo-2-nitrobenzene;7,9-dihydrofluoreno[2,3-b][1]benzofuran-9-ide;hydride;triphenylphosphane
CID 159348269
CID 158336108
CID 158336108
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene
CID 160811980
4-bromo-1-nitro-2-(4-phenylphenyl)benzene
CID 144601418
1-(2-nitro-4-phenylphenyl)-4-phenylnaphthalene
CID 90215701
7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene
CID 130452327
2-bromo-8-(2-nitrophenyl)-1-phenyldibenzothiophene
CID 118909204
2-bromo-7-phenylthioxanthen-9-one
CID 123137766

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane?
The IUPAC name of 2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane (CID 159107744) is 2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane.
What is the SMILES notation for 2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane?
The canonical SMILES for 2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane is Brc1ccc2c(c1)Cc1cc(-c3ccc4sc5ccccc5c4c3)ccc1-2.O=[N+]([O-])c1cc(Br)ccc1-c1ccc(-c2ccc3sc4ccccc4c3c2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane?
The InChIKey is KECHTXROZXMEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15BrS.C24H14BrNO2S.C18H15P/c26-19-7-9-21-18(13-19)12-17-11-15(5-8-20(17)21)16-6-10-25-23(14-16)22-3-1-2-4-24(22)27-25;25-18-10-11-19(22(14-18)26(27)28)16-7-5-15(6-8-16)17-9-12-24-21(13-17)20-3-1-2-4-23(20)29-24;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-11,13-14H,12H2;1-14H;1-15H.
What are the key properties of 2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane?
2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane has a molecular weight of 1150.01 g/mol, XLogP of 19.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-9H-fluoren-2-yl)dibenzothiophene;2-[4-(4-bromo-2-nitrophenyl)phenyl]dibenzothiophene;triphenylphosphane is sourced from PubChem (CID 159107744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).