2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene

C32H26OS — CID 142012365

IUPAC2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene
SMILESC=C(CCSc1ccccc1)Oc1ccc2cc(/C=C/c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C32H26OS/c1-24(19-20-34-32-9-3-2-4-10-32)33-31-18-17-29-22-26(14-16-30(29)23-31)12-11-25-13-15-27-7-5-6-8-28(27)21-25/h2-18,21-23H,1,19-20H2/b12-11+
InChIKeyFDNWRTVXTDZTFW-VAWYXSNFSA-N
MW458.63 g/mol
LogP9.24
Rot. Bonds8

About 2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene

2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene (PubChem CID 142012365) has the molecular formula C32H26OS and a molecular weight of 458.63 g/mol. Its IUPAC name is 2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene.

Molecular Properties

Compound Name2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene
PubChem CID142012365
Molecular FormulaC32H26OS
Molecular Weight458.63 g/mol
Exact Mass458.17
IUPAC Name2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene
SMILESC=C(CCSc1ccccc1)Oc1ccc2cc(/C=C/c3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C32H26OS/c1-24(19-20-34-32-9-3-2-4-10-32)33-31-18-17-29-22-26(14-16-30(29)23-31)12-11-25-13-15-27-7-5-6-8-28(27)21-25/h2-18,21-23H,1,19-20H2/b12-11+
InChIKeyFDNWRTVXTDZTFW-VAWYXSNFSA-N
XLogP9.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.63
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-phenylsulfanylethenyl]naphthalene
CID 122215934
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
2-(4-naphthalen-2-yloxyphenyl)sulfanylethanamine
CID 141169012
2-naphthalen-2-ylethenol
CID 67195423
2-[2-[4-(2-tetracen-2-ylethenyl)phenyl]ethenyl]tetracene
CID 76589902
2-(2,2-diphenylethenyl)-6-[2-[6-(2-naphthalen-2-ylethenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565680
(E)-5-naphthalen-2-ylpent-4-enoic acid
CID 10263103
2-[(E)-2-butylsulfanylethenyl]naphthalene
CID 163215654
[(E)-5-methoxy-3-methylidenepent-4-enyl]sulfanylbenzene
CID 13215981
2-phenylsulfanyloxynaphthalene
CID 102594920
2-(6-phenylhexa-1,3,5-trienyl)naphthalene
CID 2818391

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene?
The IUPAC name of 2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene (CID 142012365) is 2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene.
What is the SMILES notation for 2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene?
The canonical SMILES for 2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene is C=C(CCSc1ccccc1)Oc1ccc2cc(/C=C/c3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of 2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene?
The InChIKey is FDNWRTVXTDZTFW-VAWYXSNFSA-N. The full InChI is InChI=1S/C32H26OS/c1-24(19-20-34-32-9-3-2-4-10-32)33-31-18-17-29-22-26(14-16-30(29)23-31)12-11-25-13-15-27-7-5-6-8-28(27)21-25/h2-18,21-23H,1,19-20H2/b12-11+.
What are the key properties of 2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene?
2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene has a molecular weight of 458.63 g/mol, XLogP of 9.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-naphthalen-2-ylethenyl]-6-(4-phenylsulfanylbut-1-en-2-yloxy)naphthalene is sourced from PubChem (CID 142012365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).