N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine

C35H22N2S2 — CID 169061493

IUPACN-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)sc1c(N(c3ccc(-c4ccncc4)cc3)c3cccc4c3sc3ccccc34)cccc12
InChIInChI=1S/C35H22N2S2/c1-3-13-32-26(7-1)28-9-5-11-30(34(28)38-32)37(25-17-15-23(16-18-25)24-19-21-36-22-20-24)31-12-6-10-29-27-8-2-4-14-33(27)39-35(29)31/h1-22H
InChIKeyKPZXXYWMYMRXRW-UHFFFAOYSA-N
MW534.71 g/mol
LogP10.95
Rot. Bonds4

About N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine

N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine (PubChem CID 169061493) has the molecular formula C35H22N2S2 and a molecular weight of 534.71 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine
PubChem CID169061493
Molecular FormulaC35H22N2S2
Molecular Weight534.71 g/mol
Exact Mass534.12
IUPAC NameN-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)sc1c(N(c3ccc(-c4ccncc4)cc3)c3cccc4c3sc3ccccc34)cccc12
InChIInChI=1S/C35H22N2S2/c1-3-13-32-26(7-1)28-9-5-11-30(34(28)38-32)37(25-17-15-23(16-18-25)24-19-21-36-22-20-24)31-12-6-10-29-27-8-2-4-14-33(27)39-35(29)31/h1-22H
InChIKeyKPZXXYWMYMRXRW-UHFFFAOYSA-N
XLogP10.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.71
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-[4-(4-bromophenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 121327886
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
N-dibenzothiophen-4-yl-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-4-amine
CID 138718885
N-(4-phenylphenyl)-N-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 155122859
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-4-amine
CID 153299777
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine
CID 160550206
N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine
CID 169061390

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine (CID 169061493) is N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine is c1ccc2c(c1)sc1c(N(c3ccc(-c4ccncc4)cc3)c3cccc4c3sc3ccccc34)cccc12.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is KPZXXYWMYMRXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2S2/c1-3-13-32-26(7-1)28-9-5-11-30(34(28)38-32)37(25-17-15-23(16-18-25)24-19-21-36-22-20-24)31-12-6-10-29-27-8-2-4-14-33(27)39-35(29)31/h1-22H.
What are the key properties of N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine?
N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 534.71 g/mol, XLogP of 10.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 169061493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).