2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene

C34H32 — CID 58121887

IUPAC2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene
SMILESC1=CC(C2C=CC(CC3C=Cc4ccccc4C3)=CC2)CC=C1Cc1ccc2ccccc2c1
InChIInChI=1S/C34H32/c1-3-7-33-23-27(13-19-29(33)5-1)21-25-9-15-31(16-10-25)32-17-11-26(12-18-32)22-28-14-20-30-6-2-4-8-34(30)24-28/h1-15,17,19-20,23,28,31-32H,16,18,21-22,24H2
InChIKeyQHPMLOOQRWNIEJ-UHFFFAOYSA-N
MW440.63 g/mol
LogP8.66
Rot. Bonds5

About 2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene

2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene (PubChem CID 58121887) has the molecular formula C34H32 and a molecular weight of 440.63 g/mol. Its IUPAC name is 2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene.

Molecular Properties

Compound Name2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene
PubChem CID58121887
Molecular FormulaC34H32
Molecular Weight440.63 g/mol
Exact Mass440.25
IUPAC Name2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene
SMILESC1=CC(C2C=CC(CC3C=Cc4ccccc4C3)=CC2)CC=C1Cc1ccc2ccccc2c1
InChIInChI=1S/C34H32/c1-3-7-33-23-27(13-19-29(33)5-1)21-25-9-15-31(16-10-25)32-17-11-26(12-18-32)22-28-14-20-30-6-2-4-8-34(30)24-28/h1-15,17,19-20,23,28,31-32H,16,18,21-22,24H2
InChIKeyQHPMLOOQRWNIEJ-UHFFFAOYSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene?
The IUPAC name of 2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene (CID 58121887) is 2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene.
What is the SMILES notation for 2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene?
The canonical SMILES for 2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene is C1=CC(C2C=CC(CC3C=Cc4ccccc4C3)=CC2)CC=C1Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene?
The InChIKey is QHPMLOOQRWNIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32/c1-3-7-33-23-27(13-19-29(33)5-1)21-25-9-15-31(16-10-25)32-17-11-26(12-18-32)22-28-14-20-30-6-2-4-8-34(30)24-28/h1-15,17,19-20,23,28,31-32H,16,18,21-22,24H2.
What are the key properties of 2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene?
2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene has a molecular weight of 440.63 g/mol, XLogP of 8.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(1,2-dihydronaphthalen-2-ylmethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]methyl]naphthalene is sourced from PubChem (CID 58121887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).