2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene

C78H50 — CID 159891346

IUPAC2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene
SMILESc1ccc(C2=C3C(=C(c4cccc(-c5cccc6ccccc56)c4)c4cc(-c5ccccc5)c(-c5ccccc5)cc43)C(c3cccc(-c4cccc5ccccc45)c3)=C2c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C78H50/c1-4-22-54(23-5-1)69-49-71-72(50-70(69)55-24-6-2-7-25-55)77-74(56-29-8-3-9-30-56)75(61-38-17-35-58(47-61)67-44-20-32-52-27-11-14-41-64(52)67)76(62-39-18-36-59(48-62)68-45-21-33-53-28-12-15-42-65(53)68)78(77)73(71)60-37-16-34-57(46-60)66-43-19-31-51-26-10-13-40-63(51)66/h1-50H
InChIKeyVJTDVZODSOGCKH-UHFFFAOYSA-N
MW987.26 g/mol
LogP20.83
Rot. Bonds9

About 2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene

2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene (PubChem CID 159891346) has the molecular formula C78H50 and a molecular weight of 987.26 g/mol. Its IUPAC name is 2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene.

Molecular Properties

Compound Name2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene
PubChem CID159891346
Molecular FormulaC78H50
Molecular Weight987.26 g/mol
Exact Mass986.39
IUPAC Name2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene
SMILESc1ccc(C2=C3C(=C(c4cccc(-c5cccc6ccccc56)c4)c4cc(-c5ccccc5)c(-c5ccccc5)cc43)C(c3cccc(-c4cccc5ccccc45)c3)=C2c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C78H50/c1-4-22-54(23-5-1)69-49-71-72(50-70(69)55-24-6-2-7-25-55)77-74(56-29-8-3-9-30-56)75(61-38-17-35-58(47-61)67-44-20-32-52-27-11-14-41-64(52)67)76(62-39-18-36-59(48-62)68-45-21-33-53-28-12-15-42-65(53)68)78(77)73(71)60-37-16-34-57(46-60)66-43-19-31-51-26-10-13-40-63(51)66/h1-50H
InChIKeyVJTDVZODSOGCKH-UHFFFAOYSA-N
XLogP20.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.26
LogP ≤ 520.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene 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

2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123933383
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
1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123612784
1,3-bis(3-naphthalen-1-ylphenyl)-6,8-diphenylpyrene
CID 170778741
2-(2,3,4,6,7-pentakis-phenylcyclopenta[a]inden-1-yl)triphenylene
CID 123878044
1-(2-naphthalen-2-ylphenyl)-2,3,4,6,7-pentakis-phenylcyclopenta[a]indene
CID 123582484
1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(2-phenylphenyl)pyrene;1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(3-phenylphenyl)pyrene;1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(4-phenylphenyl)pyrene
CID 159896209
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
2-[2,3,6,7-tetraphenyl-1-(7-phenylnaphthalen-2-yl)cyclopenta[a]inden-4-yl]anthracene
CID 123391662
9-(1-anthracen-9-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)anthracene;1,4-dinaphthalen-2-yl-2,3,6,7-tetraphenylcyclopenta[a]indene;3-(1-phenanthren-3-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-4-yl)phenanthrene
CID 162049653

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene?
The IUPAC name of 2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene (CID 159891346) is 2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene.
What is the SMILES notation for 2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene?
The canonical SMILES for 2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene is c1ccc(C2=C3C(=C(c4cccc(-c5cccc6ccccc56)c4)c4cc(-c5ccccc5)c(-c5ccccc5)cc43)C(c3cccc(-c4cccc5ccccc45)c3)=C2c2cccc(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of 2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene?
The InChIKey is VJTDVZODSOGCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H50/c1-4-22-54(23-5-1)69-49-71-72(50-70(69)55-24-6-2-7-25-55)77-74(56-29-8-3-9-30-56)75(61-38-17-35-58(47-61)67-44-20-32-52-27-11-14-41-64(52)67)76(62-39-18-36-59(48-62)68-45-21-33-53-28-12-15-42-65(53)68)78(77)73(71)60-37-16-34-57(46-60)66-43-19-31-51-26-10-13-40-63(51)66/h1-50H.
What are the key properties of 2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene?
2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene has a molecular weight of 987.26 g/mol, XLogP of 20.83, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris(3-naphthalen-1-ylphenyl)-1,6,7-triphenylcyclopenta[a]indene is sourced from PubChem (CID 159891346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).