2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane

C30H32N2S — CID 143935207

IUPAC2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane
SMILESCC.NCCc1cccc(-c2ccc3sc4ccc(-c5cccc(CCN)c5)cc4c3c2)c1
InChIInChI=1S/C28H26N2S.C2H6/c29-13-11-19-3-1-5-21(15-19)23-7-9-27-25(17-23)26-18-24(8-10-28(26)31-27)22-6-2-4-20(16-22)12-14-30;1-2/h1-10,15-18H,11-14,29-30H2;1-2H3
InChIKeyLRPMXSFAXTULNP-UHFFFAOYSA-N
MW452.67 g/mol
LogP7.42
Rot. Bonds6

About 2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane

2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane (PubChem CID 143935207) has the molecular formula C30H32N2S and a molecular weight of 452.67 g/mol. Its IUPAC name is 2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane.

Molecular Properties

Compound Name2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane
PubChem CID143935207
Molecular FormulaC30H32N2S
Molecular Weight452.67 g/mol
Exact Mass452.23
IUPAC Name2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane
SMILESCC.NCCc1cccc(-c2ccc3sc4ccc(-c5cccc(CCN)c5)cc4c3c2)c1
InChIInChI=1S/C28H26N2S.C2H6/c29-13-11-19-3-1-5-21(15-19)23-7-9-27-25(17-23)26-18-24(8-10-28(26)31-27)22-6-2-4-20(16-22)12-14-30;1-2/h1-10,15-18H,11-14,29-30H2;1-2H3
InChIKeyLRPMXSFAXTULNP-UHFFFAOYSA-N
XLogP7.42
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.67
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-methylphenyl)phenyl]ethanamine
CID 66523842
2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene
CID 154989313
2-[3-[8-[3-(2-aminoethyl)phenyl]-5-oxodibenzothiophen-2-yl]phenyl]ethanamine
CID 59268477
2-[3-[3-(2-aminoethyl)phenyl]phenyl]acetic acid
CID 1392718
N'-[[3-[8-[5-[(2-aminoethylamino)methyl]-3-pyridinyl]dibenzothiophen-2-yl]phenyl]methyl]ethane-1,2-diamine;3-[3-[8-[3-(3-aminopropyl)phenyl]-5,5-dioxodibenzothiophen-2-yl]phenyl]propan-1-amine
CID 159684639
2-[3-[4-(2-methylpropoxy)phenyl]phenyl]ethanamine;hydrochloride
CID 164606887
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943
3-(3-phenylphenyl)propan-1-amine
CID 68886504
2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane?
The IUPAC name of 2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane (CID 143935207) is 2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane.
What is the SMILES notation for 2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane?
The canonical SMILES for 2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane is CC.NCCc1cccc(-c2ccc3sc4ccc(-c5cccc(CCN)c5)cc4c3c2)c1.
What is the InChIKey of 2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane?
The InChIKey is LRPMXSFAXTULNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2S.C2H6/c29-13-11-19-3-1-5-21(15-19)23-7-9-27-25(17-23)26-18-24(8-10-28(26)31-27)22-6-2-4-20(16-22)12-14-30;1-2/h1-10,15-18H,11-14,29-30H2;1-2H3.
What are the key properties of 2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane?
2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane has a molecular weight of 452.67 g/mol, XLogP of 7.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-[3-(2-aminoethyl)phenyl]dibenzothiophen-2-yl]phenyl]ethanamine;ethane is sourced from PubChem (CID 143935207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).