ethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene

C43H42S — CID 143481166

IUPACethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene
SMILESC=CC.C=S(C)c1ccc2c(-c3cccc4ccccc34)c3cc(CC)ccc3c(-c3ccc4ccccc4c3)c2c1.CC
InChIInChI=1S/C38H30S.C3H6.C2H6/c1-4-25-16-20-33-35(22-25)38(32-15-9-13-27-11-7-8-14-31(27)32)34-21-19-30(39(2)3)24-36(34)37(33)29-18-17-26-10-5-6-12-28(26)23-29;1-3-2;1-2/h5-24H,2,4H2,1,3H3;3H,1H2,2H3;1-2H3
InChIKeyBSBFWQCRKPUOKJ-UHFFFAOYSA-N
MW590.88 g/mol
LogP13.10
Rot. Bonds4

About ethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene

ethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene (PubChem CID 143481166) has the molecular formula C43H42S and a molecular weight of 590.88 g/mol. Its IUPAC name is ethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene.

Molecular Properties

Compound Nameethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene
PubChem CID143481166
Molecular FormulaC43H42S
Molecular Weight590.88 g/mol
Exact Mass590.30
IUPAC Nameethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene
SMILESC=CC.C=S(C)c1ccc2c(-c3cccc4ccccc34)c3cc(CC)ccc3c(-c3ccc4ccccc4c3)c2c1.CC
InChIInChI=1S/C38H30S.C3H6.C2H6/c1-4-25-16-20-33-35(22-25)38(32-15-9-13-27-11-7-8-14-31(27)32)34-21-19-30(39(2)3)24-36(34)37(33)29-18-17-26-10-5-6-12-28(26)23-29;1-3-2;1-2/h5-24H,2,4H2,1,3H3;3H,1H2,2H3;1-2H3
InChIKeyBSBFWQCRKPUOKJ-UHFFFAOYSA-N
XLogP13.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.88
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
methyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane
CID 145093533
9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
CID 142403047
2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58672231
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene
CID 153465608
ethane;2-naphthalen-1-ylanthracene;9-naphthalen-1-ylanthracene;2-naphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9,10-diphenylanthracene;1-naphthalen-2-ylnaphthalene
CID 160511945
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799

Frequently Asked Questions

What is the IUPAC name of ethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene?
The IUPAC name of ethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene (CID 143481166) is ethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene.
What is the SMILES notation for ethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene?
The canonical SMILES for ethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene is C=CC.C=S(C)c1ccc2c(-c3cccc4ccccc34)c3cc(CC)ccc3c(-c3ccc4ccccc4c3)c2c1.CC.
What is the InChIKey of ethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene?
The InChIKey is BSBFWQCRKPUOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30S.C3H6.C2H6/c1-4-25-16-20-33-35(22-25)38(32-15-9-13-27-11-7-8-14-31(27)32)34-21-19-30(39(2)3)24-36(34)37(33)29-18-17-26-10-5-6-12-28(26)23-29;1-3-2;1-2/h5-24H,2,4H2,1,3H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene?
ethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene has a molecular weight of 590.88 g/mol, XLogP of 13.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6-ethyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-methyl-methylidene-λ4-sulfane;prop-1-ene is sourced from PubChem (CID 143481166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).