4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene

C150H95Br3 — CID 158817230

IUPAC4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene
SMILESBrC(Br)=Cc1cc(-c2ccccc2)c(-c2ccccc2)cc1C#Cc1ccccc1.BrC1=C2C(=C(c3ccccc3)C(c3cccc4ccccc34)=C2c2cccc3ccccc23)c2cc(-c3ccccc3)c(-c3ccccc3)cc21.C(#Cc1cccc2ccccc12)c1cccc2ccccc12.C1=C2C(=C(c3ccccc3)C(c3cccc4ccccc34)=C2c2cccc3ccccc23)c2cc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C50H31Br.C50H32.C28H18Br2.C22H14/c51-50-44-31-42(35-18-6-2-7-19-35)41(34-16-4-1-5-17-34)30-43(44)48-45(36-22-8-3-9-23-36)46(39-28-14-24-32-20-10-12-26-37(32)39)47(49(48)50)40-29-15-25-33-21-11-13-27-38(33)40;1-4-16-35(17-5-1)43-30-38-31-46-48(41-28-14-24-33-20-10-12-26-39(33)41)50(42-29-15-25-34-21-11-13-27-40(34)42)47(37-22-8-3-9-23-37)49(46)45(38)32-44(43)36-18-6-2-7-19-36;29-28(30)20-25-19-27(23-14-8-3-9-15-23)26(22-12-6-2-7-13-22)18-24(25)17-16-21-10-4-1-5-11-21;1-3-13-21-17(7-1)9-5-11-19(21)15-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-31H;1-32H;1-15,18-20H;1-14H
InChIKeyIVKMTTBWFOSPHY-UHFFFAOYSA-N
MW2137.12 g/mol
LogP41.14
Rot. Bonds13

About 4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene

4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene (PubChem CID 158817230) has the molecular formula C150H95Br3 and a molecular weight of 2137.12 g/mol. Its IUPAC name is 4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene.

Molecular Properties

Compound Name4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene
PubChem CID158817230
Molecular FormulaC150H95Br3
Molecular Weight2137.12 g/mol
Exact Mass2132.50
IUPAC Name4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene
SMILESBrC(Br)=Cc1cc(-c2ccccc2)c(-c2ccccc2)cc1C#Cc1ccccc1.BrC1=C2C(=C(c3ccccc3)C(c3cccc4ccccc34)=C2c2cccc3ccccc23)c2cc(-c3ccccc3)c(-c3ccccc3)cc21.C(#Cc1cccc2ccccc12)c1cccc2ccccc12.C1=C2C(=C(c3ccccc3)C(c3cccc4ccccc34)=C2c2cccc3ccccc23)c2cc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C50H31Br.C50H32.C28H18Br2.C22H14/c51-50-44-31-42(35-18-6-2-7-19-35)41(34-16-4-1-5-17-34)30-43(44)48-45(36-22-8-3-9-23-36)46(39-28-14-24-32-20-10-12-26-37(32)39)47(49(48)50)40-29-15-25-33-21-11-13-27-38(33)40;1-4-16-35(17-5-1)43-30-38-31-46-48(41-28-14-24-33-20-10-12-26-39(33)41)50(42-29-15-25-34-21-11-13-27-40(34)42)47(37-22-8-3-9-23-37)49(46)45(38)32-44(43)36-18-6-2-7-19-36;29-28(30)20-25-19-27(23-14-8-3-9-15-23)26(22-12-6-2-7-13-22)18-24(25)17-16-21-10-4-1-5-11-21;1-3-13-21-17(7-1)9-5-11-19(21)15-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-31H;1-32H;1-15,18-20H;1-14H
InChIKeyIVKMTTBWFOSPHY-UHFFFAOYSA-N
XLogP41.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002137.12
LogP ≤ 541.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene with MolForge

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Related Compounds

1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;5-[2-(1H-inden-5-yl)ethynyl]-1H-indene;2-(1H-inden-5-yl)-3-(3H-inden-4-yl)-1,6,7-triphenylcyclopenta[a]indene
CID 161253844
2-bromo-3-(2-naphthalen-1-ylethynyl)naphthalene;2,3-dibromonaphthalene;12,24-dinaphthalen-1-ylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 160642872
2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene
CID 159891346
1,2,3,4,6,7-hexakis-phenylcyclopenta[a]indene;1-naphthalen-1-yl-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene;1-naphthalen-2-yl-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene
CID 157435557
2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123933383
1-(2-phenylethynyl)-5-[5-(2-phenylethynyl)naphthalen-1-yl]naphthalene
CID 139963297
5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 158334550
1-(2,2-dibromoethenyl)naphthalene
CID 12642645
6-[4-phenyl-7-[4-(2-phenylethynyl)naphthalen-2-yl]naphthalen-2-yl]naphthalene-1-carbonitrile
CID 170210755
1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123612784
1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene
CID 123582484
2-phenyl-1-[2-[2-(2-phenylethynyl)phenyl]phenyl]cyclobuta[l]phenanthrene
CID 134956115

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene?
The IUPAC name of 4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene (CID 158817230) is 4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene.
What is the SMILES notation for 4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene?
The canonical SMILES for 4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene is BrC(Br)=Cc1cc(-c2ccccc2)c(-c2ccccc2)cc1C#Cc1ccccc1.BrC1=C2C(=C(c3ccccc3)C(c3cccc4ccccc34)=C2c2cccc3ccccc23)c2cc(-c3ccccc3)c(-c3ccccc3)cc21.C(#Cc1cccc2ccccc12)c1cccc2ccccc12.C1=C2C(=C(c3ccccc3)C(c3cccc4ccccc34)=C2c2cccc3ccccc23)c2cc(-c3ccccc3)c(-c3ccccc3)cc21.
What is the InChIKey of 4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene?
The InChIKey is IVKMTTBWFOSPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31Br.C50H32.C28H18Br2.C22H14/c51-50-44-31-42(35-18-6-2-7-19-35)41(34-16-4-1-5-17-34)30-43(44)48-45(36-22-8-3-9-23-36)46(39-28-14-24-32-20-10-12-26-37(32)39)47(49(48)50)40-29-15-25-33-21-11-13-27-38(33)40;1-4-16-35(17-5-1)43-30-38-31-46-48(41-28-14-24-33-20-10-12-26-39(33)41)50(42-29-15-25-34-21-11-13-27-40(34)42)47(37-22-8-3-9-23-37)49(46)45(38)32-44(43)36-18-6-2-7-19-36;29-28(30)20-25-19-27(23-14-8-3-9-15-23)26(22-12-6-2-7-13-22)18-24(25)17-16-21-10-4-1-5-11-21;1-3-13-21-17(7-1)9-5-11-19(21)15-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-31H;1-32H;1-15,18-20H;1-14H.
What are the key properties of 4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene?
4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene has a molecular weight of 2137.12 g/mol, XLogP of 41.14, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2,2-dibromoethenyl)-4,5-diphenyl-2-(2-phenylethynyl)benzene;2,3-dinaphthalen-1-yl-1,6,7-triphenylcyclopenta[a]indene;1-(2-naphthalen-1-ylethynyl)naphthalene is sourced from PubChem (CID 158817230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).