5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene

C78H52 — CID 123575605

IUPAC5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene
SMILESCc1c2c(c(C)c(-c3ccccc3)c1-c1ccccc1)C(c1ccc3cccc(-c4cccc5ccccc45)c3c1)=C1C(c3ccccc3)=C(c3ccccc3)C(c3ccc4c(-c5cccc6ccccc56)cccc4c3)=C12
InChIInChI=1S/C78H52/c1-49-69(54-25-7-3-8-26-54)70(55-27-9-4-10-28-55)50(2)72-71(49)75(60-44-43-53-35-21-42-67(68(53)48-60)65-40-20-34-52-24-16-18-38-62(52)65)78-74(57-31-13-6-14-32-57)73(56-29-11-5-12-30-56)76(77(72)78)59-45-46-63-58(47-59)36-22-41-66(63)64-39-19-33-51-23-15-17-37-61(51)64/h3-48H,1-2H3
InChIKeyWLYNFNGGUSVZMK-UHFFFAOYSA-N
MW989.27 g/mol
LogP20.94
Rot. Bonds8

About 5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene

5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene (PubChem CID 123575605) has the molecular formula C78H52 and a molecular weight of 989.27 g/mol. Its IUPAC name is 5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene.

Molecular Properties

Compound Name5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene
PubChem CID123575605
Molecular FormulaC78H52
Molecular Weight989.27 g/mol
Exact Mass988.41
IUPAC Name5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene
SMILESCc1c2c(c(C)c(-c3ccccc3)c1-c1ccccc1)C(c1ccc3cccc(-c4cccc5ccccc45)c3c1)=C1C(c3ccccc3)=C(c3ccccc3)C(c3ccc4c(-c5cccc6ccccc56)cccc4c3)=C12
InChIInChI=1S/C78H52/c1-49-69(54-25-7-3-8-26-54)70(55-27-9-4-10-28-55)50(2)72-71(49)75(60-44-43-53-35-21-42-67(68(53)48-60)65-40-20-34-52-24-16-18-38-62(52)65)78-74(57-31-13-6-14-32-57)73(56-29-11-5-12-30-56)76(77(72)78)59-45-46-63-58(47-59)36-22-41-66(63)64-39-19-33-51-23-15-17-37-61(51)64/h3-48H,1-2H3
InChIKeyWLYNFNGGUSVZMK-UHFFFAOYSA-N
XLogP20.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.27
LogP ≤ 520.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[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

1,4,6,7-tetraphenyl-3-(1-phenylnaphthalen-2-yl)-2-(8-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123612784
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
2,3,4,6,7-pentakis-phenyl-1-(5-phenylnaphthalen-2-yl)cyclopenta[a]indene
CID 123933383
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene
CID 91534318
9-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
2-(1-anthracen-9-yl-8-methyl-4-naphthalen-1-yl-2,3,6,7-tetraphenylcyclopenta[a]inden-5-yl)-1,3-benzoxazole
CID 123861741
9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837207
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
12-naphthalen-2-yl-24-phenylhexacyclo[11.11.0.02,11.03,8.014,23.015,20]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123338519
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene?
The IUPAC name of 5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene (CID 123575605) is 5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene.
What is the SMILES notation for 5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene?
The canonical SMILES for 5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene is Cc1c2c(c(C)c(-c3ccccc3)c1-c1ccccc1)C(c1ccc3cccc(-c4cccc5ccccc45)c3c1)=C1C(c3ccccc3)=C(c3ccccc3)C(c3ccc4c(-c5cccc6ccccc56)cccc4c3)=C12.
What is the InChIKey of 5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene?
The InChIKey is WLYNFNGGUSVZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52/c1-49-69(54-25-7-3-8-26-54)70(55-27-9-4-10-28-55)50(2)72-71(49)75(60-44-43-53-35-21-42-67(68(53)48-60)65-40-20-34-52-24-16-18-38-62(52)65)78-74(57-31-13-6-14-32-57)73(56-29-11-5-12-30-56)76(77(72)78)59-45-46-63-58(47-59)36-22-41-66(63)64-39-19-33-51-23-15-17-37-61(51)64/h3-48H,1-2H3.
What are the key properties of 5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene?
5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene has a molecular weight of 989.27 g/mol, XLogP of 20.94, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-1-(5-naphthalen-1-ylnaphthalen-2-yl)-4-(8-naphthalen-1-ylnaphthalen-2-yl)-2,3,6,7-tetraphenylcyclopenta[a]indene is sourced from PubChem (CID 123575605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).