1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane

C39H36 — CID 169055147

IUPAC1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane
SMILESCc1cc(-c2ccccc2)cc(-c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)c4ccccc34)cc2)c1
InChIInChI=1S/C39H36/c1-26-17-33(30-7-3-2-4-8-30)22-34(18-26)31-11-13-32(14-12-31)35-15-16-38(37-10-6-5-9-36(35)37)39-23-27-19-28(24-39)21-29(20-27)25-39/h2-18,22,27-29H,19-21,23-25H2,1H3
InChIKeyFIGYZOZDPOUPHH-UHFFFAOYSA-N
MW504.72 g/mol
LogP10.62
Rot. Bonds4

About 1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane

1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane (PubChem CID 169055147) has the molecular formula C39H36 and a molecular weight of 504.72 g/mol. Its IUPAC name is 1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane.

Molecular Properties

Compound Name1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane
PubChem CID169055147
Molecular FormulaC39H36
Molecular Weight504.72 g/mol
Exact Mass504.28
IUPAC Name1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane
SMILESCc1cc(-c2ccccc2)cc(-c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)c4ccccc34)cc2)c1
InChIInChI=1S/C39H36/c1-26-17-33(30-7-3-2-4-8-30)22-34(18-26)31-11-13-32(14-12-31)35-15-16-38(37-10-6-5-9-36(35)37)39-23-27-19-28(24-39)21-29(20-27)25-39/h2-18,22,27-29H,19-21,23-25H2,1H3
InChIKeyFIGYZOZDPOUPHH-UHFFFAOYSA-N
XLogP10.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.72
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-(3-tert-butylphenyl)naphthalen-1-yl]adamantane
CID 168808398
2-[4-[4-(1-adamantyl)naphthalen-1-yl]-2-isocyanophenyl]-4,6-diphenyl-1,3,5-triazine
CID 168808393
2-[4-[4-(1-adamantyl)naphthalen-1-yl]phenyl]-4,6-bis(4-isocyanophenyl)-1,3,5-triazine
CID 168808115
2-(1-adamantyl)-6-[3-[3-(1-adamantyl)-2-hydroxy-5-methylphenyl]phenyl]-4-methylphenol
CID 102159811
2'-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]spiro[cyclopentane-1,9'-fluorene]
CID 169055143
1-[3-[4-(1-adamantyl)phenyl]-5-methylphenyl]-9-phenylcarbazole
CID 169054774
N-[4-[4-[N-[4-(1-adamantyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 164768070
2-[4-(1-adamantyl)naphthalen-1-yl]-4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 169054715
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 140710828
1-(2-methoxy-5-phenylphenyl)adamantane
CID 67688498

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane?
The IUPAC name of 1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane (CID 169055147) is 1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane.
What is the SMILES notation for 1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane?
The canonical SMILES for 1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane is Cc1cc(-c2ccccc2)cc(-c2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)c4ccccc34)cc2)c1.
What is the InChIKey of 1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane?
The InChIKey is FIGYZOZDPOUPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36/c1-26-17-33(30-7-3-2-4-8-30)22-34(18-26)31-11-13-32(14-12-31)35-15-16-38(37-10-6-5-9-36(35)37)39-23-27-19-28(24-39)21-29(20-27)25-39/h2-18,22,27-29H,19-21,23-25H2,1H3.
What are the key properties of 1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane?
1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane has a molecular weight of 504.72 g/mol, XLogP of 10.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-methyl-5-phenylphenyl)phenyl]naphthalen-1-yl]adamantane is sourced from PubChem (CID 169055147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).