3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene

C40H38 — CID 175769843

IUPAC3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
SMILESCC(C)(C)c1ccc(-c2cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc4ccccc34)c3ccccc3c2)cc1
InChIInChI=1S/C40H38/c1-39(2,3)33-19-15-27(16-20-33)31-23-29-11-7-9-13-35(29)37(25-31)38-26-32(24-30-12-8-10-14-36(30)38)28-17-21-34(22-18-28)40(4,5)6/h7-26H,1-6H3
InChIKeyBZIFBJMAWBEDIT-UHFFFAOYSA-N
MW518.74 g/mol
LogP11.59
Rot. Bonds3

About 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene

3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene (PubChem CID 175769843) has the molecular formula C40H38 and a molecular weight of 518.74 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
PubChem CID175769843
Molecular FormulaC40H38
Molecular Weight518.74 g/mol
Exact Mass518.30
IUPAC Name3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
SMILESCC(C)(C)c1ccc(-c2cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc4ccccc34)c3ccccc3c2)cc1
InChIInChI=1S/C40H38/c1-39(2,3)33-19-15-27(16-20-33)31-23-29-11-7-9-13-35(29)37(25-31)38-26-32(24-30-12-8-10-14-36(30)38)28-17-21-34(22-18-28)40(4,5)6/h7-26H,1-6H3
InChIKeyBZIFBJMAWBEDIT-UHFFFAOYSA-N
XLogP11.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.74
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169238
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
3-tert-butyl-10-[4-[3-(4-tert-butylphenyl)naphthalen-1-yl]phenyl]phenothiazine
CID 166689734
2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene
CID 141284541
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-naphthalen-1-ylphenyl)pyrene
CID 59391221
2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline
CID 170539352
[4-[5-(4-tert-butylphenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide
CID 71579798
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
2-tert-butylphenanthrene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-4-[3-(3-phenylphenyl)phenyl]benzene;1-tert-butyl-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene;1-tert-butyl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 167578783
9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123968907
2-[5-(4-tert-butylphenyl)naphthalen-2-yl]benzaldehyde
CID 71579983

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene?
The IUPAC name of 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene (CID 175769843) is 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene is CC(C)(C)c1ccc(-c2cc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc4ccccc34)c3ccccc3c2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene?
The InChIKey is BZIFBJMAWBEDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38/c1-39(2,3)33-19-15-27(16-20-33)31-23-29-11-7-9-13-35(29)37(25-31)38-26-32(24-30-12-8-10-14-36(30)38)28-17-21-34(22-18-28)40(4,5)6/h7-26H,1-6H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene?
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene has a molecular weight of 518.74 g/mol, XLogP of 11.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene is sourced from PubChem (CID 175769843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).