1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene

C60H50 — CID 59169238

IUPAC1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene
SMILESCC(C)(C)c1ccc(-c2ccc3cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(C(C)(C)C)cc7)c7ccccc67)c6ccccc56)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C60H50/c1-59(2,3)45-27-23-39(24-28-45)41-19-20-43-38-44(22-21-42(43)37-41)48-32-34-56(52-16-10-8-14-50(48)52)58-36-35-57(53-17-11-12-18-54(53)58)55-33-31-47(49-13-7-9-15-51(49)55)40-25-29-46(30-26-40)60(4,5)6/h7-38H,1-6H3
InChIKeyLAOOTWFUKTWEDE-UHFFFAOYSA-N
MW771.06 g/mol
LogP17.23
Rot. Bonds5

About 1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene

1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene (PubChem CID 59169238) has the molecular formula C60H50 and a molecular weight of 771.06 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene
PubChem CID59169238
Molecular FormulaC60H50
Molecular Weight771.06 g/mol
Exact Mass770.39
IUPAC Name1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene
SMILESCC(C)(C)c1ccc(-c2ccc3cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(C(C)(C)C)cc7)c7ccccc67)c6ccccc56)c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C60H50/c1-59(2,3)45-27-23-39(24-28-45)41-19-20-43-38-44(22-21-42(43)37-41)48-32-34-56(52-16-10-8-14-50(48)52)58-36-35-57(53-17-11-12-18-54(53)58)55-33-31-47(49-13-7-9-15-51(49)55)40-25-29-46(30-26-40)60(4,5)6/h7-38H,1-6H3
InChIKeyLAOOTWFUKTWEDE-UHFFFAOYSA-N
XLogP17.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.06
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590190
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
CID 175769843
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 23154901
1,2-bis(4-tert-butylphenyl)naphthalene
CID 163894539
9-[7-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-yl]-10-(2-naphthalen-2-ylphenyl)anthracene
CID 140808444
7-tert-butyl-1-(6-phenanthren-1-ylnaphthalen-2-yl)pyrene
CID 59629654
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-[4-(3-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,3,5-triazine
CID 158095916
9-(3-tert-butylphenyl)-10-[8-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 144837312
1-tert-butyl-2,6-diphenylnaphthalene
CID 169050130

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene?
The IUPAC name of 1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene (CID 59169238) is 1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene is CC(C)(C)c1ccc(-c2ccc3cc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(C(C)(C)C)cc7)c7ccccc67)c6ccccc56)c5ccccc45)ccc3c2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene?
The InChIKey is LAOOTWFUKTWEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50/c1-59(2,3)45-27-23-39(24-28-45)41-19-20-43-38-44(22-21-42(43)37-41)48-32-34-56(52-16-10-8-14-50(48)52)58-36-35-57(53-17-11-12-18-54(53)58)55-33-31-47(49-13-7-9-15-51(49)55)40-25-29-46(30-26-40)60(4,5)6/h7-38H,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene?
1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene has a molecular weight of 771.06 g/mol, XLogP of 17.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene is sourced from PubChem (CID 59169238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).