2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene

C30H34 — CID 142299961

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene
SMILESc1cc2c(cc1-c1ccc3ccc(C4CCC5CCCCC5C4)cc3c1)CCCC2
InChIInChI=1S/C30H34/c1-3-7-24-17-26(13-9-21(24)5-1)28-15-11-23-12-16-29(20-30(23)19-28)27-14-10-22-6-2-4-8-25(22)18-27/h9,11-13,15-17,19-20,22,25,27H,1-8,10,14,18H2
InChIKeyMCGKYOZDDVDDES-UHFFFAOYSA-N
MW394.60 g/mol
LogP8.46
Rot. Bonds2

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene (PubChem CID 142299961) has the molecular formula C30H34 and a molecular weight of 394.60 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene
PubChem CID142299961
Molecular FormulaC30H34
Molecular Weight394.60 g/mol
Exact Mass394.27
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene
SMILESc1cc2c(cc1-c1ccc3ccc(C4CCC5CCCCC5C4)cc3c1)CCCC2
InChIInChI=1S/C30H34/c1-3-7-24-17-26(13-9-21(24)5-1)28-15-11-23-12-16-29(20-30(23)19-28)27-14-10-22-6-2-4-8-25(22)18-27/h9,11-13,15-17,19-20,22,25,27H,1-8,10,14,18H2
InChIKeyMCGKYOZDDVDDES-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene (CID 142299961) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene is c1cc2c(cc1-c1ccc3ccc(C4CCC5CCCCC5C4)cc3c1)CCCC2.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene?
The InChIKey is MCGKYOZDDVDDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34/c1-3-7-24-17-26(13-9-21(24)5-1)28-15-11-23-12-16-29(20-30(23)19-28)27-14-10-22-6-2-4-8-25(22)18-27/h9,11-13,15-17,19-20,22,25,27H,1-8,10,14,18H2.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene has a molecular weight of 394.60 g/mol, XLogP of 8.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene is sourced from PubChem (CID 142299961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).