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

C144H90 — CID 161163611

IUPAC2-(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
SMILESc1ccc2c(-c3ccc(-c4cccc5ccccc45)c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)cccc2c1.c1ccc2cc(-c3ccc(-c4ccc5ccccc5c4)c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4cccc5ccccc45)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc34)ccc2c1
InChIInChI=1S/3C48H30/c1-3-15-35-31(11-1)13-9-21-37(35)43-27-28-46(38-22-10-14-32-12-2-4-16-36(32)38)48-30-34(24-26-45(43)48)33-23-25-44-41-19-6-5-17-39(41)40-18-7-8-20-42(40)47(44)29-33;1-3-11-33-27-37(19-17-31(33)9-1)39-25-26-40(38-20-18-32-10-2-4-12-34(32)28-38)47-29-35(21-23-45(39)47)36-22-24-46-43-15-6-5-13-41(43)42-14-7-8-16-44(42)48(46)30-36;1-2-12-33-28-36(21-20-31(33)10-1)38-26-27-44(39-19-9-13-32-11-3-4-14-37(32)39)46-25-23-34(29-47(38)46)35-22-24-45-42-17-6-5-15-40(42)41-16-7-8-18-43(41)48(45)30-35/h3*1-30H
InChIKeyUQFWWKQKNXEASQ-UHFFFAOYSA-N
MW1820.30 g/mol
LogP40.82
Rot. Bonds9

About 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

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 (PubChem CID 161163611) has the molecular formula C144H90 and a molecular weight of 1820.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID161163611
Molecular FormulaC144H90
Molecular Weight1820.30 g/mol
Exact Mass1818.70
IUPAC Name2-(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
SMILESc1ccc2c(-c3ccc(-c4cccc5ccccc45)c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)cccc2c1.c1ccc2cc(-c3ccc(-c4ccc5ccccc5c4)c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4cccc5ccccc45)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc34)ccc2c1
InChIInChI=1S/3C48H30/c1-3-15-35-31(11-1)13-9-21-37(35)43-27-28-46(38-22-10-14-32-12-2-4-16-36(32)38)48-30-34(24-26-45(43)48)33-23-25-44-41-19-6-5-17-39(41)40-18-7-8-20-42(40)47(44)29-33;1-3-11-33-27-37(19-17-31(33)9-1)39-25-26-40(38-20-18-32-10-2-4-12-34(32)28-38)47-29-35(21-23-45(39)47)36-22-24-46-43-15-6-5-13-41(43)42-14-7-8-16-44(42)48(46)30-36;1-2-12-33-28-36(21-20-31(33)10-1)38-26-27-44(39-19-9-13-32-11-3-4-14-37(32)39)46-25-23-34(29-47(38)46)35-22-24-45-42-17-6-5-15-40(42)41-16-7-8-18-43(41)48(45)30-35/h3*1-30H
InChIKeyUQFWWKQKNXEASQ-UHFFFAOYSA-N
XLogP40.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001820.30
LogP ≤ 540.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene
CID 161163612
1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene
CID 159069619
6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
CID 59399019
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264
10-naphthalen-2-yl-21-(3-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629400
10-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629430
2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
CID 58511683

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(-c3ccc(-c4cccc5ccccc45)c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)cccc2c1.c1ccc2cc(-c3ccc(-c4ccc5ccccc5c4)c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4cccc5ccccc45)c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc34)ccc2c1.
What is the InChIKey of 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?
The InChIKey is UQFWWKQKNXEASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H30/c1-3-15-35-31(11-1)13-9-21-37(35)43-27-28-46(38-22-10-14-32-12-2-4-16-36(32)38)48-30-34(24-26-45(43)48)33-23-25-44-41-19-6-5-17-39(41)40-18-7-8-20-42(40)47(44)29-33;1-3-11-33-27-37(19-17-31(33)9-1)39-25-26-40(38-20-18-32-10-2-4-12-34(32)28-38)47-29-35(21-23-45(39)47)36-22-24-46-43-15-6-5-13-41(43)42-14-7-8-16-44(42)48(46)30-36;1-2-12-33-28-36(21-20-31(33)10-1)38-26-27-44(39-19-9-13-32-11-3-4-14-37(32)39)46-25-23-34(29-47(38)46)35-22-24-45-42-17-6-5-15-40(42)41-16-7-8-18-43(41)48(45)30-35/h3*1-30H.
What are the key properties of 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?
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 has a molecular weight of 1820.30 g/mol, XLogP of 40.82, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161163611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).