2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene

C32H24S — CID 144990268

IUPAC2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene
SMILESCc1ccc(/C=C(/Cc2ccc3ccccc3c2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C32H24S/c1-22-10-12-23(13-11-22)18-28(20-24-14-15-25-6-2-3-7-26(25)19-24)27-16-17-32-30(21-27)29-8-4-5-9-31(29)33-32/h2-19,21H,20H2,1H3/b28-18-
InChIKeyDYCOPBUXDBVMRF-VEILYXNESA-N
MW440.61 g/mol
LogP9.30
Rot. Bonds4

About 2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene

2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene (PubChem CID 144990268) has the molecular formula C32H24S and a molecular weight of 440.61 g/mol. Its IUPAC name is 2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene.

Molecular Properties

Compound Name2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene
PubChem CID144990268
Molecular FormulaC32H24S
Molecular Weight440.61 g/mol
Exact Mass440.16
IUPAC Name2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene
SMILESCc1ccc(/C=C(/Cc2ccc3ccccc3c2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C32H24S/c1-22-10-12-23(13-11-22)18-28(20-24-14-15-25-6-2-3-7-26(25)19-24)27-16-17-32-30(21-27)29-8-4-5-9-31(29)33-32/h2-19,21H,20H2,1H3/b28-18-
InChIKeyDYCOPBUXDBVMRF-VEILYXNESA-N
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.61
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone
CID 71619385
2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
CID 59195540
2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene
CID 143526425
2-[(Z)-1-phenylbut-1-en-2-yl]naphthalene
CID 58787072
2-[(2-methylphenyl)methyl]dibenzothiophene
CID 135219412
methyl 3-(4-methylphenyl)-2-naphthalen-2-ylprop-2-enoate
CID 53449415
2-naphthalen-2-yloxydibenzothiophene
CID 14642240
2,8-dinaphthalen-2-yldibenzothiophene
CID 58971417
2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;1,2-bis[(E)-2-(4-methylphenyl)ethenyl]benzene;1,3-bis[(E)-2-(4-methylphenyl)ethenyl]benzene;1,4-bis[(E)-2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethenyl]benzene;1,2-bis[(E)-2-phenylethenyl]benzene;1,3-bis[(E)-2-phenylethenyl]benzene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene;2-methyl-6-[(E)-2-[4-[(E)-2-(7-methylnaphthalen-2-yl)ethenyl]phenyl]ethenyl]naphthalene;2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 157096227
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 174256490
2-[4-(1-methylnaphthalen-2-yl)phenyl]dibenzothiophene
CID 135245249
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene?
The IUPAC name of 2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene (CID 144990268) is 2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene.
What is the SMILES notation for 2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene?
The canonical SMILES for 2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene is Cc1ccc(/C=C(/Cc2ccc3ccccc3c2)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene?
The InChIKey is DYCOPBUXDBVMRF-VEILYXNESA-N. The full InChI is InChI=1S/C32H24S/c1-22-10-12-23(13-11-22)18-28(20-24-14-15-25-6-2-3-7-26(25)19-24)27-16-17-32-30(21-27)29-8-4-5-9-31(29)33-32/h2-19,21H,20H2,1H3/b28-18-.
What are the key properties of 2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene?
2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene has a molecular weight of 440.61 g/mol, XLogP of 9.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(4-methylphenyl)-3-naphthalen-2-ylprop-1-en-2-yl]dibenzothiophene is sourced from PubChem (CID 144990268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).