2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene

C86H54S2 — CID 123663104

IUPAC2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene
SMILESc1ccc(C2=C3C(=C(c4ccc(-c5ccc6ccccc6c5)cc4)c4c3c(-c3cccs3)c(-c3ccccc3)c(-c3ccccc3)c4-c3cccs3)C(c3ccc(-c4ccc5ccccc5c4)cc3)=C2c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C86H54S2/c1-4-21-61(22-5-1)76-77(62-23-6-2-7-24-62)82(74-31-17-51-88-74)86-84(81(76)73-30-16-50-87-73)80(66-45-36-60(37-46-66)72-49-40-57-20-12-15-29-69(57)54-72)83-79(65-43-34-59(35-44-65)71-48-39-56-19-11-14-28-68(56)53-71)75(78(85(83)86)63-25-8-3-9-26-63)64-41-32-58(33-42-64)70-47-38-55-18-10-13-27-67(55)52-70/h1-54H
InChIKeySQCLNKVJTAHWHJ-UHFFFAOYSA-N
MW1151.51 g/mol
LogP24.29
Rot. Bonds11

About 2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene

2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene (PubChem CID 123663104) has the molecular formula C86H54S2 and a molecular weight of 1151.51 g/mol. Its IUPAC name is 2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene.

Molecular Properties

Compound Name2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene
PubChem CID123663104
Molecular FormulaC86H54S2
Molecular Weight1151.51 g/mol
Exact Mass1150.37
IUPAC Name2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene
SMILESc1ccc(C2=C3C(=C(c4ccc(-c5ccc6ccccc6c5)cc4)c4c3c(-c3cccs3)c(-c3ccccc3)c(-c3ccccc3)c4-c3cccs3)C(c3ccc(-c4ccc5ccccc5c4)cc3)=C2c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C86H54S2/c1-4-21-61(22-5-1)76-77(62-23-6-2-7-24-62)82(74-31-17-51-88-74)86-84(81(76)73-30-16-50-87-73)80(66-45-36-60(37-46-66)72-49-40-57-20-12-15-29-69(57)54-72)83-79(65-43-34-59(35-44-65)71-48-39-56-19-11-14-28-68(56)53-71)75(78(85(83)86)63-25-8-3-9-26-63)64-41-32-58(33-42-64)70-47-38-55-18-10-13-27-67(55)52-70/h1-54H
InChIKeySQCLNKVJTAHWHJ-UHFFFAOYSA-N
XLogP24.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001151.51
LogP ≤ 524.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trinaphthalen-2-yl-N,N,1,6,7,8-hexakis-phenylcyclopenta[a]inden-5-amine
CID 123763671
2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene
CID 59342673
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
benzo[f]azulene
CID 13065869
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene
CID 123391662
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene?
The IUPAC name of 2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene (CID 123663104) is 2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene.
What is the SMILES notation for 2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene?
The canonical SMILES for 2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene is c1ccc(C2=C3C(=C(c4ccc(-c5ccc6ccccc6c5)cc4)c4c3c(-c3cccs3)c(-c3ccccc3)c(-c3ccccc3)c4-c3cccs3)C(c3ccc(-c4ccc5ccccc5c4)cc3)=C2c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene?
The InChIKey is SQCLNKVJTAHWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H54S2/c1-4-21-61(22-5-1)76-77(62-23-6-2-7-24-62)82(74-31-17-51-88-74)86-84(81(76)73-30-16-50-87-73)80(66-45-36-60(37-46-66)72-49-40-57-20-12-15-29-69(57)54-72)83-79(65-43-34-59(35-44-65)71-48-39-56-19-11-14-28-68(56)53-71)75(78(85(83)86)63-25-8-3-9-26-63)64-41-32-58(33-42-64)70-47-38-55-18-10-13-27-67(55)52-70/h1-54H.
What are the key properties of 2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene?
2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene has a molecular weight of 1151.51 g/mol, XLogP of 24.29, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,4-tris(4-naphthalen-2-ylphenyl)-1,6,7-triphenyl-5-thiophen-2-ylcyclopenta[a]inden-8-yl]thiophene is sourced from PubChem (CID 123663104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).