1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene

C58H44 — CID 123884226

IUPAC1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene
SMILESc1ccc2c(-c3ccc(-c4ccc(C5(c6ccc(-c7ccc(-c8cccc9ccccc89)c8ccccc78)cc6)CCCCC5)cc4)c4ccccc34)cccc2c1
InChIInChI=1S/C58H44/c1-10-38-58(39-11-1,44-30-26-42(27-31-44)48-34-36-56(54-22-8-6-20-50(48)54)52-24-12-16-40-14-2-4-18-46(40)52)45-32-28-43(29-33-45)49-35-37-57(55-23-9-7-21-51(49)55)53-25-13-17-41-15-3-5-19-47(41)53/h2-9,12-37H,1,10-11,38-39H2
InChIKeyIKBGDBIRBCIDAQ-UHFFFAOYSA-N
MW740.99 g/mol
LogP16.22
Rot. Bonds6

About 1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene

1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene (PubChem CID 123884226) has the molecular formula C58H44 and a molecular weight of 740.99 g/mol. Its IUPAC name is 1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene.

Molecular Properties

Compound Name1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene
PubChem CID123884226
Molecular FormulaC58H44
Molecular Weight740.99 g/mol
Exact Mass740.34
IUPAC Name1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene
SMILESc1ccc2c(-c3ccc(-c4ccc(C5(c6ccc(-c7ccc(-c8cccc9ccccc89)c8ccccc78)cc6)CCCCC5)cc4)c4ccccc34)cccc2c1
InChIInChI=1S/C58H44/c1-10-38-58(39-11-1,44-30-26-42(27-31-44)48-34-36-56(54-22-8-6-20-50(48)54)52-24-12-16-40-14-2-4-18-46(40)52)45-32-28-43(29-33-45)49-35-37-57(55-23-9-7-21-51(49)55)53-25-13-17-41-15-3-5-19-47(41)53/h2-9,12-37H,1,10-11,38-39H2
InChIKeyIKBGDBIRBCIDAQ-UHFFFAOYSA-N
XLogP16.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.99
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 121315412
4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315578
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine
CID 174254871
2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 121315629
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
CID 174255291
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
CID 174255025
spiro[benzo[a]fluorene-11,1'-cyclononane]
CID 143254805
2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315437
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-(4-naphthalen-1-ylphenyl)pyrrolidine
CID 168512103
8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline
CID 121315542
2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 146384801

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene?
The IUPAC name of 1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene (CID 123884226) is 1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene.
What is the SMILES notation for 1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene?
The canonical SMILES for 1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene is c1ccc2c(-c3ccc(-c4ccc(C5(c6ccc(-c7ccc(-c8cccc9ccccc89)c8ccccc78)cc6)CCCCC5)cc4)c4ccccc34)cccc2c1.
What is the InChIKey of 1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene?
The InChIKey is IKBGDBIRBCIDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44/c1-10-38-58(39-11-1,44-30-26-42(27-31-44)48-34-36-56(54-22-8-6-20-50(48)54)52-24-12-16-40-14-2-4-18-46(40)52)45-32-28-43(29-33-45)49-35-37-57(55-23-9-7-21-51(49)55)53-25-13-17-41-15-3-5-19-47(41)53/h2-9,12-37H,1,10-11,38-39H2.
What are the key properties of 1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene?
1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene has a molecular weight of 740.99 g/mol, XLogP of 16.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene is sourced from PubChem (CID 123884226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).