2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene

C68H42 — CID 143886225

IUPAC2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
SMILESc1ccc2cc(-c3ccc4cc5cc(-c6ccc7ccc(-c8ccc9c(-c%10ccc%11cc%12cc(-c%13cccc%14ccccc%13%14)ccc%12cc%11c%10)cccc9c8)cc7c6)ccc5cc4c3)ccc2c1
InChIInChI=1S/C68H42/c1-2-9-46-31-47(18-15-43(46)7-1)50-21-23-53-38-62-36-51(22-24-54(62)37-61(53)35-50)48-19-16-44-17-20-49(34-60(44)33-48)52-29-30-68-57(32-52)11-6-14-67(68)59-28-26-56-39-63-41-58(27-25-55(63)40-64(56)42-59)66-13-5-10-45-8-3-4-12-65(45)66/h1-42H
InChIKeyIYCUFUBCPGXENM-UHFFFAOYSA-N
MW859.08 g/mol
LogP19.25
Rot. Bonds5

About 2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene

2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene (PubChem CID 143886225) has the molecular formula C68H42 and a molecular weight of 859.08 g/mol. Its IUPAC name is 2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
PubChem CID143886225
Molecular FormulaC68H42
Molecular Weight859.08 g/mol
Exact Mass858.33
IUPAC Name2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
SMILESc1ccc2cc(-c3ccc4cc5cc(-c6ccc7ccc(-c8ccc9c(-c%10ccc%11cc%12cc(-c%13cccc%14ccccc%13%14)ccc%12cc%11c%10)cccc9c8)cc7c6)ccc5cc4c3)ccc2c1
InChIInChI=1S/C68H42/c1-2-9-46-31-47(18-15-43(46)7-1)50-21-23-53-38-62-36-51(22-24-54(62)37-61(53)35-50)48-19-16-44-17-20-49(34-60(44)33-48)52-29-30-68-57(32-52)11-6-14-67(68)59-28-26-56-39-63-41-58(27-25-55(63)40-64(56)42-59)66-13-5-10-45-8-3-4-12-65(45)66/h1-42H
InChIKeyIYCUFUBCPGXENM-UHFFFAOYSA-N
XLogP19.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.08
LogP ≤ 519.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-ylanthracene
CID 2748705
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100
2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
CID 123541562
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene;2-(5,8-dinaphthalen-2-ylnaphthalen-2-yl)triphenylene;2-(5-naphthalen-1-yl-8-naphthalen-2-ylnaphthalen-2-yl)triphenylene
CID 161163611
1-[3-naphthalen-2-yl-5-[4-[4-(3-naphthalen-1-yl-5-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]naphthalene
CID 18710973
2-[2,5-difluoro-4-(5-naphthalen-2-ylnaphthalen-2-yl)-3,6-bis(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-7-naphthalen-2-ylnaphthalene
CID 46187509
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 123979832
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 158321046
2-naphthalen-2-ylphenanthrene
CID 90738367

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene?
The IUPAC name of 2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene (CID 143886225) is 2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene.
What is the SMILES notation for 2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene?
The canonical SMILES for 2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene is c1ccc2cc(-c3ccc4cc5cc(-c6ccc7ccc(-c8ccc9c(-c%10ccc%11cc%12cc(-c%13cccc%14ccccc%13%14)ccc%12cc%11c%10)cccc9c8)cc7c6)ccc5cc4c3)ccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene?
The InChIKey is IYCUFUBCPGXENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42/c1-2-9-46-31-47(18-15-43(46)7-1)50-21-23-53-38-62-36-51(22-24-54(62)37-61(53)35-50)48-19-16-44-17-20-49(34-60(44)33-48)52-29-30-68-57(32-52)11-6-14-67(68)59-28-26-56-39-63-41-58(27-25-55(63)40-64(56)42-59)66-13-5-10-45-8-3-4-12-65(45)66/h1-42H.
What are the key properties of 2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene?
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene has a molecular weight of 859.08 g/mol, XLogP of 19.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene is sourced from PubChem (CID 143886225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).