7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine

C28H18ClNS — CID 155773213

IUPAC7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine
SMILESClc1ccc2c(c1)sc1ccc(N(c3ccccc3)c3cccc4ccccc34)cc12
InChIInChI=1S/C28H18ClNS/c29-20-13-15-24-25-18-22(14-16-27(25)31-28(24)17-20)30(21-9-2-1-3-10-21)26-12-6-8-19-7-4-5-11-23(19)26/h1-18H
InChIKeyCEGNXBSGYCJWEW-UHFFFAOYSA-N
MW435.98 g/mol
LogP9.33
Rot. Bonds3

About 7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine

7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine (PubChem CID 155773213) has the molecular formula C28H18ClNS and a molecular weight of 435.98 g/mol. Its IUPAC name is 7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine.

Molecular Properties

Compound Name7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine
PubChem CID155773213
Molecular FormulaC28H18ClNS
Molecular Weight435.98 g/mol
Exact Mass435.08
IUPAC Name7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine
SMILESClc1ccc2c(c1)sc1ccc(N(c3ccccc3)c3cccc4ccccc34)cc12
InChIInChI=1S/C28H18ClNS/c29-20-13-15-24-25-18-22(14-16-27(25)31-28(24)17-20)30(21-9-2-1-3-10-21)26-12-6-8-19-7-4-5-11-23(19)26/h1-18H
InChIKeyCEGNXBSGYCJWEW-UHFFFAOYSA-N
XLogP9.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.98
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-N-naphthalen-1-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146574134
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
N-naphthalen-1-yl-N-phenyl-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(26),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29,31,33,36-octadecaen-22-amine
CID 130465034
7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 129194290
N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 130327193
2-N-dibenzothiophen-1-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;2-N-dibenzothiophen-3-yl-2-N-naphthalen-1-yl-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 159090908
2-N-dibenzothiophen-2-yl-7-N-naphthalen-1-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;8-N-dibenzothiophen-2-yl-1-N,1-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 161330703
N-(4-dibenzothiophen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 118405930
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 147348264
1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 19842977
N-(3-chlorophenyl)-N-phenylnaphthalen-1-amine
CID 166960066
8-N-naphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine
CID 131979973

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine?
The IUPAC name of 7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine (CID 155773213) is 7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine.
What is the SMILES notation for 7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine?
The canonical SMILES for 7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine is Clc1ccc2c(c1)sc1ccc(N(c3ccccc3)c3cccc4ccccc34)cc12.
What is the InChIKey of 7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine?
The InChIKey is CEGNXBSGYCJWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClNS/c29-20-13-15-24-25-18-22(14-16-27(25)31-28(24)17-20)30(21-9-2-1-3-10-21)26-12-6-8-19-7-4-5-11-23(19)26/h1-18H.
What are the key properties of 7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine?
7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine has a molecular weight of 435.98 g/mol, XLogP of 9.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine is sourced from PubChem (CID 155773213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).