ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene)

C46H72 — CID 161433387

IUPACethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene)
SMILESC1=CC2=C(C1)CCCC2.C1=CC2=C(C1)CCCC2.CC.CC.CC.CC.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2
InChIInChI=1S/2C10H12.2C9H12.4C2H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-5-9-7-3-6-8(9)4-1;4*1-2/h2*1-2,5-6H,3-4,7-8H2;2*3,6H,1-2,4-5,7H2;4*1-2H3
InChIKeyVYHVYOPLSFTPAX-UHFFFAOYSA-N
MW625.08 g/mol
LogP14.87
Rot. Bonds

About ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene)

ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene) (PubChem CID 161433387) has the molecular formula C46H72 and a molecular weight of 625.08 g/mol. Its IUPAC name is ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene).

Molecular Properties

Compound Nameethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene)
PubChem CID161433387
Molecular FormulaC46H72
Molecular Weight625.08 g/mol
Exact Mass624.56
IUPAC Nameethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene)
SMILESC1=CC2=C(C1)CCCC2.C1=CC2=C(C1)CCCC2.CC.CC.CC.CC.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2
InChIInChI=1S/2C10H12.2C9H12.4C2H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-5-9-7-3-6-8(9)4-1;4*1-2/h2*1-2,5-6H,3-4,7-8H2;2*3,6H,1-2,4-5,7H2;4*1-2H3
InChIKeyVYHVYOPLSFTPAX-UHFFFAOYSA-N
XLogP14.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.08
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1H-indene;4,5,6,7-tetrahydro-1H-indene
CID 144525193
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
1,2,3,4-tetrahydronaphthalene
CID 174531863
1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene
CID 144945752
azane;1,2,3,4-tetrahydronaphthalene
CID 22598116
ethane;bis(1,2,3,4-tetrahydronaphthalene);tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 161259233
7-methyl-2,3,4,9-tetrahydro-1H-benzo[7]annulene
CID 13057529
acetaldehyde;2,3-dihydro-1H-indene;ethane;1,2,3,4-tetrahydronaphthalene
CID 158377760
benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 160913528
bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)
CID 158590082
1,2,3,4,5,7-hexahydrobenzo[7]annulen-6-one
CID 121218577
2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane
CID 157086025

Frequently Asked Questions

What is the IUPAC name of ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene)?
The IUPAC name of ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene) (CID 161433387) is ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene).
What is the SMILES notation for ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene)?
The canonical SMILES for ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene) is C1=CC2=C(C1)CCCC2.C1=CC2=C(C1)CCCC2.CC.CC.CC.CC.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.
What is the InChIKey of ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene)?
The InChIKey is VYHVYOPLSFTPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H12.2C9H12.4C2H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-5-9-7-3-6-8(9)4-1;4*1-2/h2*1-2,5-6H,3-4,7-8H2;2*3,6H,1-2,4-5,7H2;4*1-2H3.
What are the key properties of ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene)?
ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene) has a molecular weight of 625.08 g/mol, XLogP of 14.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(4,5,6,7-tetrahydro-1H-indene);bis(1,2,3,4-tetrahydronaphthalene) is sourced from PubChem (CID 161433387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).