1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene

C30H30 — CID 101201451

IUPAC1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene
SMILESCC1(C)C2CC(c3cccc4ccccc34)C(C)(c3cccc4ccccc34)C1C2
InChIInChI=1S/C30H30/c1-29(2)22-18-27(25-16-8-12-20-10-4-6-14-23(20)25)30(3,28(29)19-22)26-17-9-13-21-11-5-7-15-24(21)26/h4-17,22,27-28H,18-19H2,1-3H3
InChIKeyAMPNSJKAKMNUOM-UHFFFAOYSA-N
MW390.57 g/mol
LogP8.10
Rot. Bonds2

About 1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene

1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene (PubChem CID 101201451) has the molecular formula C30H30 and a molecular weight of 390.57 g/mol. Its IUPAC name is 1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene.

Molecular Properties

Compound Name1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene
PubChem CID101201451
Molecular FormulaC30H30
Molecular Weight390.57 g/mol
Exact Mass390.23
IUPAC Name1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene
SMILESCC1(C)C2CC(c3cccc4ccccc34)C(C)(c3cccc4ccccc34)C1C2
InChIInChI=1S/C30H30/c1-29(2)22-18-27(25-16-8-12-20-10-4-6-14-23(20)25)30(3,28(29)19-22)26-17-9-13-21-11-5-7-15-24(21)26/h4-17,22,27-28H,18-19H2,1-3H3
InChIKeyAMPNSJKAKMNUOM-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene?
The IUPAC name of 1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene (CID 101201451) is 1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene.
What is the SMILES notation for 1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene?
The canonical SMILES for 1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene is CC1(C)C2CC(c3cccc4ccccc34)C(C)(c3cccc4ccccc34)C1C2.
What is the InChIKey of 1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene?
The InChIKey is AMPNSJKAKMNUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30/c1-29(2)22-18-27(25-16-8-12-20-10-4-6-14-23(20)25)30(3,28(29)19-22)26-17-9-13-21-11-5-7-15-24(21)26/h4-17,22,27-28H,18-19H2,1-3H3.
What are the key properties of 1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene?
1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene has a molecular weight of 390.57 g/mol, XLogP of 8.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6,6-trimethyl-2-naphthalen-1-yl-3-bicyclo[3.1.1]heptanyl)naphthalene is sourced from PubChem (CID 101201451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).