2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine

C51H34N6OS — CID 154989986

IUPAC2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)cc(N2c3ccccc3Sc3ccccc32)n1
InChIInChI=1S/C51H34N6OS/c1-5-13-46-42(9-1)56(43-10-2-6-14-47(43)58-46)50-33-41(34-51(54-50)57-44-11-3-7-15-48(44)59-49-16-8-4-12-45(49)57)55(39-21-17-35(18-22-39)37-25-29-52-30-26-37)40-23-19-36(20-24-40)38-27-31-53-32-28-38/h1-34H
InChIKeyZSGOEXPMVSTYRQ-UHFFFAOYSA-N
MW778.94 g/mol
LogP14.19
Rot. Bonds7

About 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine

2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine (PubChem CID 154989986) has the molecular formula C51H34N6OS and a molecular weight of 778.94 g/mol. Its IUPAC name is 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine
PubChem CID154989986
Molecular FormulaC51H34N6OS
Molecular Weight778.94 g/mol
Exact Mass778.25
IUPAC Name2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)cc(N2c3ccccc3Sc3ccccc32)n1
InChIInChI=1S/C51H34N6OS/c1-5-13-46-42(9-1)56(43-10-2-6-14-47(43)58-46)50-33-41(34-51(54-50)57-44-11-3-7-15-48(44)59-49-16-8-4-12-45(49)57)55(39-21-17-35(18-22-39)37-25-29-52-30-26-37)40-23-19-36(20-24-40)38-27-31-53-32-28-38/h1-34H
InChIKeyZSGOEXPMVSTYRQ-UHFFFAOYSA-N
XLogP14.19
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.94
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine?
The IUPAC name of 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine (CID 154989986) is 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine.
What is the SMILES notation for 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine?
The canonical SMILES for 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine is c1ccc2c(c1)Oc1ccccc1N2c1cc(N(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccncc3)cc2)cc(N2c3ccccc3Sc3ccccc32)n1.
What is the InChIKey of 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine?
The InChIKey is ZSGOEXPMVSTYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N6OS/c1-5-13-46-42(9-1)56(43-10-2-6-14-47(43)58-46)50-33-41(34-51(54-50)57-44-11-3-7-15-48(44)59-49-16-8-4-12-45(49)57)55(39-21-17-35(18-22-39)37-25-29-52-30-26-37)40-23-19-36(20-24-40)38-27-31-53-32-28-38/h1-34H.
What are the key properties of 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine?
2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine has a molecular weight of 778.94 g/mol, XLogP of 14.19, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine is sourced from PubChem (CID 154989986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).