benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene

C35H34 — CID 160913528

IUPACbenzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene
SMILESC1=Cc2ccccc2C1.c1ccc2c(c1)CCCC2.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C10H12.C10H8.C9H8.C6H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1/h1-2,5-6H,3-4,7-8H2;1-8H;1-6H,7H2;1-6H
InChIKeySRCIQWLMKVCFKK-UHFFFAOYSA-N
MW454.66 g/mol
LogP9.35
Rot. Bonds

About benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene

benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene (PubChem CID 160913528) has the molecular formula C35H34 and a molecular weight of 454.66 g/mol. Its IUPAC name is benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Namebenzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene
PubChem CID160913528
Molecular FormulaC35H34
Molecular Weight454.66 g/mol
Exact Mass454.27
IUPAC Namebenzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene
SMILESC1=Cc2ccccc2C1.c1ccc2c(c1)CCCC2.c1ccc2ccccc2c1.c1ccccc1
InChIInChI=1S/C10H12.C10H8.C9H8.C6H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1/h1-2,5-6H,3-4,7-8H2;1-8H;1-6H,7H2;1-6H
InChIKeySRCIQWLMKVCFKK-UHFFFAOYSA-N
XLogP9.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene (CID 160913528) is benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene is C1=Cc2ccccc2C1.c1ccc2c(c1)CCCC2.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene?
The InChIKey is SRCIQWLMKVCFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C10H8.C9H8.C6H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1/h1-2,5-6H,3-4,7-8H2;1-8H;1-6H,7H2;1-6H.
What are the key properties of benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene?
benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene has a molecular weight of 454.66 g/mol, XLogP of 9.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 160913528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).