methyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane

C38H28S — CID 145093533

IUPACmethyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane
SMILESC=S(C)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C38H28S/c1-39(2)32-23-21-28(22-24-32)27-15-18-29(19-16-27)37-33-11-5-7-13-35(33)38(36-14-8-6-12-34(36)37)31-20-17-26-9-3-4-10-30(26)25-31/h3-25H,1H2,2H3
InChIKeyPVAQQSJVIGJLFY-UHFFFAOYSA-N
MW516.71 g/mol
LogP10.84
Rot. Bonds4

About methyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane

methyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane (PubChem CID 145093533) has the molecular formula C38H28S and a molecular weight of 516.71 g/mol. Its IUPAC name is methyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane.

Molecular Properties

Compound Namemethyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane
PubChem CID145093533
Molecular FormulaC38H28S
Molecular Weight516.71 g/mol
Exact Mass516.19
IUPAC Namemethyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane
SMILESC=S(C)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C38H28S/c1-39(2)32-23-21-28(22-24-32)27-15-18-29(19-16-27)37-33-11-5-7-13-35(33)38(36-14-8-6-12-34(36)37)31-20-17-26-9-3-4-10-30(26)25-31/h3-25H,1H2,2H3
InChIKeyPVAQQSJVIGJLFY-UHFFFAOYSA-N
XLogP10.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.71
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane?
The IUPAC name of methyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane (CID 145093533) is methyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane.
What is the SMILES notation for methyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane?
The canonical SMILES for methyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane is C=S(C)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.
What is the InChIKey of methyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane?
The InChIKey is PVAQQSJVIGJLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28S/c1-39(2)32-23-21-28(22-24-32)27-15-18-29(19-16-27)37-33-11-5-7-13-35(33)38(36-14-8-6-12-34(36)37)31-20-17-26-9-3-4-10-30(26)25-31/h3-25H,1H2,2H3.
What are the key properties of methyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane?
methyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane has a molecular weight of 516.71 g/mol, XLogP of 10.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-λ4-sulfane is sourced from PubChem (CID 145093533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).