(1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone

C32H23NOS — CID 123993142

IUPAC(1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone
SMILESCc1c(C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc2sc3ccccc3c12
InChIInChI=1S/C32H23NOS/c1-22-27(20-21-30-31(22)28-14-8-9-15-29(28)35-30)32(34)23-16-18-26(19-17-23)33(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-21H,1H3
InChIKeyURZGWUTYAREWND-UHFFFAOYSA-N
MW469.61 g/mol
LogP9.06
Rot. Bonds5

About (1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone

(1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone (PubChem CID 123993142) has the molecular formula C32H23NOS and a molecular weight of 469.61 g/mol. Its IUPAC name is (1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone.

Molecular Properties

Compound Name(1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone
PubChem CID123993142
Molecular FormulaC32H23NOS
Molecular Weight469.61 g/mol
Exact Mass469.15
IUPAC Name(1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone
SMILESCc1c(C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc2sc3ccccc3c12
InChIInChI=1S/C32H23NOS/c1-22-27(20-21-30-31(22)28-14-8-9-15-29(28)35-30)32(34)23-16-18-26(19-17-23)33(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-21H,1H3
InChIKeyURZGWUTYAREWND-UHFFFAOYSA-N
XLogP9.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.61
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-2-dibenzothiophen-2-yl-2-[4-(N-phenylanilino)phenyl]-1-(4-phenylsulfanylphenyl)ethenyl]-N,N-diphenylaniline
CID 164930029
[2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone
CID 71619385
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine
CID 170039484
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
N-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121383196
3-N,3-N-di(dibenzothiophen-2-yl)-1-N,5-N-bis(3-methylphenyl)-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605072
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-bis(3-methylphenyl)-5-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605031
N-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-2-amine
CID 170037216
N,N-diphenyl-22-thiahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-amine
CID 164721928
N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine
CID 171726969

Frequently Asked Questions

What is the IUPAC name of (1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone?
The IUPAC name of (1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone (CID 123993142) is (1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone.
What is the SMILES notation for (1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone?
The canonical SMILES for (1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone is Cc1c(C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2)ccc2sc3ccccc3c12.
What is the InChIKey of (1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone?
The InChIKey is URZGWUTYAREWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23NOS/c1-22-27(20-21-30-31(22)28-14-8-9-15-29(28)35-30)32(34)23-16-18-26(19-17-23)33(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-21H,1H3.
What are the key properties of (1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone?
(1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone has a molecular weight of 469.61 g/mol, XLogP of 9.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone is sourced from PubChem (CID 123993142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).