6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

C38H50 — CID 170942414

IUPAC6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C38H50/c1-34(2,3)29-21-27(25-12-14-30-32(23-25)37(8,9)18-16-35(30,4)5)20-28(22-29)26-13-15-31-33(24-26)38(10,11)19-17-36(31,6)7/h12-15,20-24H,16-19H2,1-11H3
InChIKeyZZFCGYTXQRDRLV-UHFFFAOYSA-N
MW506.82 g/mol
LogP11.02
Rot. Bonds2

About 6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 170942414) has the molecular formula C38H50 and a molecular weight of 506.82 g/mol. Its IUPAC name is 6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID170942414
Molecular FormulaC38H50
Molecular Weight506.82 g/mol
Exact Mass506.39
IUPAC Name6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C38H50/c1-34(2,3)29-21-27(25-12-14-30-32(23-25)37(8,9)18-16-35(30,4)5)20-28(22-29)26-13-15-31-33(24-26)38(10,11)19-17-36(31,6)7/h12-15,20-24H,16-19H2,1-11H3
InChIKeyZZFCGYTXQRDRLV-UHFFFAOYSA-N
XLogP11.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.82
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene with MolForge

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Related Compounds

2-(3,5-ditert-butylphenyl)-4-[3-isocyano-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 171749174
5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 118300467
2-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 171749098
2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propan-2-ol
CID 71521561
[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]boronic acid
CID 170612242
N-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
CID 155595906
11-(3,5-ditert-butylphenyl)-5,17-bis(3,6-diphenylcarbazol-9-yl)-8,14-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171425809
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanenitrile
CID 18177846
11-carbazol-9-yl-5,8,17-tris(3,5-ditert-butylphenyl)-14-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 171425361
3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
CID 169030071
2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)propanoic acid
CID 21474587

Frequently Asked Questions

What is the IUPAC name of 6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 170942414) is 6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is CC(C)(C)c1cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)c1.
What is the InChIKey of 6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is ZZFCGYTXQRDRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50/c1-34(2,3)29-21-27(25-12-14-30-32(23-25)37(8,9)18-16-35(30,4)5)20-28(22-29)26-13-15-31-33(24-26)38(10,11)19-17-36(31,6)7/h12-15,20-24H,16-19H2,1-11H3.
What are the key properties of 6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 506.82 g/mol, XLogP of 11.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-tert-butyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 170942414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).