2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine

C56H37N7OS — CID 154990038

IUPAC2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine
SMILESc1cncc(-c2cncc(-c3ccc(N(c4ccc(-c5ccncc5)cc4)c4cc(N5c6ccccc6Oc6ccccc65)nc(N5c6ccccc6Sc6ccccc65)c4)cc3)c2)c1
InChIInChI=1S/C56H37N7OS/c1-5-15-51-47(11-1)62(48-12-2-6-16-52(48)64-51)55-33-46(34-56(60-55)63-49-13-3-7-17-53(49)65-54-18-8-4-14-50(54)63)61(44-23-19-38(20-24-44)40-27-30-57-31-28-40)45-25-21-39(22-26-45)42-32-43(37-59-36-42)41-10-9-29-58-35-41/h1-37H
InChIKeyABRGFHRMDIKALY-UHFFFAOYSA-N
MW856.03 g/mol
LogP15.25
Rot. Bonds8

About 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine

2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine (PubChem CID 154990038) has the molecular formula C56H37N7OS and a molecular weight of 856.03 g/mol. Its IUPAC name is 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine.

Molecular Properties

Compound Name2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine
PubChem CID154990038
Molecular FormulaC56H37N7OS
Molecular Weight856.03 g/mol
Exact Mass855.28
IUPAC Name2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine
SMILESc1cncc(-c2cncc(-c3ccc(N(c4ccc(-c5ccncc5)cc4)c4cc(N5c6ccccc6Oc6ccccc65)nc(N5c6ccccc6Sc6ccccc65)c4)cc3)c2)c1
InChIInChI=1S/C56H37N7OS/c1-5-15-51-47(11-1)62(48-12-2-6-16-52(48)64-51)55-33-46(34-56(60-55)63-49-13-3-7-17-53(49)65-54-18-8-4-14-50(54)63)61(44-23-19-38(20-24-44)40-27-30-57-31-28-40)45-25-21-39(22-26-45)42-32-43(37-59-36-42)41-10-9-29-58-35-41/h1-37H
InChIKeyABRGFHRMDIKALY-UHFFFAOYSA-N
XLogP15.25
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.03
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine?
The IUPAC name of 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine (CID 154990038) is 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine.
What is the SMILES notation for 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine?
The canonical SMILES for 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine is c1cncc(-c2cncc(-c3ccc(N(c4ccc(-c5ccncc5)cc4)c4cc(N5c6ccccc6Oc6ccccc65)nc(N5c6ccccc6Sc6ccccc65)c4)cc3)c2)c1.
What is the InChIKey of 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine?
The InChIKey is ABRGFHRMDIKALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N7OS/c1-5-15-51-47(11-1)62(48-12-2-6-16-52(48)64-51)55-33-46(34-56(60-55)63-49-13-3-7-17-53(49)65-54-18-8-4-14-50(54)63)61(44-23-19-38(20-24-44)40-27-30-57-31-28-40)45-25-21-39(22-26-45)42-32-43(37-59-36-42)41-10-9-29-58-35-41/h1-37H.
What are the key properties of 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine?
2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine has a molecular weight of 856.03 g/mol, XLogP of 15.25, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenothiazin-10-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-[4-(5-pyridin-3-yl-3-pyridinyl)phenyl]pyridin-4-amine is sourced from PubChem (CID 154990038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).