10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine

C30H21NS — CID 118406396

IUPAC10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine
SMILESC=CN1c2cc(-c3ccccc3)ccc2Sc2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C30H21NS/c1-2-31-27-19-23(21-9-4-3-5-10-21)15-17-29(27)32-30-18-16-24(20-28(30)31)26-14-8-12-22-11-6-7-13-25(22)26/h2-20H,1H2
InChIKeyXTOHMIBMNVMAIF-UHFFFAOYSA-N
MW427.57 g/mol
LogP8.92
Rot. Bonds3

About 10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine

10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine (PubChem CID 118406396) has the molecular formula C30H21NS and a molecular weight of 427.57 g/mol. Its IUPAC name is 10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine.

Molecular Properties

Compound Name10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine
PubChem CID118406396
Molecular FormulaC30H21NS
Molecular Weight427.57 g/mol
Exact Mass427.14
IUPAC Name10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine
SMILESC=CN1c2cc(-c3ccccc3)ccc2Sc2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C30H21NS/c1-2-31-27-19-23(21-9-4-3-5-10-21)15-17-29(27)32-30-18-16-24(20-28(30)31)26-14-8-12-22-11-6-7-13-25(22)26/h2-20H,1H2
InChIKeyXTOHMIBMNVMAIF-UHFFFAOYSA-N
XLogP8.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
5-naphthalen-1-yl-16-(4-naphthalen-2-ylphenyl)-8,13-dithiahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182119
12-[4-[3-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 170044270
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
3-naphthalen-1-yl-6-phenyl-9H-carbazole
CID 118099289
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
9-[5-naphthalen-1-yl-2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659152
9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659085
2-(3-methyl-5-phenyl-1,3-benzothiazol-2-ylidene)-1-naphthalen-1-ylethanone
CID 141149436
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(2-phenylphenyl)pyrene;1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(3-phenylphenyl)pyrene;1,3,6-tris(4-naphthalen-1-ylphenyl)-8-(4-phenylphenyl)pyrene
CID 159896209

Frequently Asked Questions

What is the IUPAC name of 10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine?
The IUPAC name of 10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine (CID 118406396) is 10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine.
What is the SMILES notation for 10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine?
The canonical SMILES for 10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine is C=CN1c2cc(-c3ccccc3)ccc2Sc2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of 10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine?
The InChIKey is XTOHMIBMNVMAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NS/c1-2-31-27-19-23(21-9-4-3-5-10-21)15-17-29(27)32-30-18-16-24(20-28(30)31)26-14-8-12-22-11-6-7-13-25(22)26/h2-20H,1H2.
What are the key properties of 10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine?
10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine has a molecular weight of 427.57 g/mol, XLogP of 8.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-2-naphthalen-1-yl-8-phenylphenothiazine is sourced from PubChem (CID 118406396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).