N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine

C60H41N3OS — CID 90194649

IUPACN-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5c(cc4-c4ccccc4)N(c4ccccc4)c4ccccc4S5)cc3)c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)cc2)cc1
InChIInChI=1S/C60H41N3OS/c1-5-17-42(18-6-1)43-29-33-48(34-30-43)61(50-37-38-54-58(39-50)64-57-27-15-13-25-53(57)62(54)46-21-9-3-10-22-46)49-35-31-45(32-36-49)52-41-60-56(40-51(52)44-19-7-2-8-20-44)63(47-23-11-4-12-24-47)55-26-14-16-28-59(55)65-60/h1-41H
InChIKeyMDBAWXLWBDQHEK-UHFFFAOYSA-N
MW852.08 g/mol
LogP17.67
Rot. Bonds8

About N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine

N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine (PubChem CID 90194649) has the molecular formula C60H41N3OS and a molecular weight of 852.08 g/mol. Its IUPAC name is N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine.

Molecular Properties

Compound NameN-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine
PubChem CID90194649
Molecular FormulaC60H41N3OS
Molecular Weight852.08 g/mol
Exact Mass851.30
IUPAC NameN-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc5c(cc4-c4ccccc4)N(c4ccccc4)c4ccccc4S5)cc3)c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)cc2)cc1
InChIInChI=1S/C60H41N3OS/c1-5-17-42(18-6-1)43-29-33-48(34-30-43)61(50-37-38-54-58(39-50)64-57-27-15-13-25-53(57)62(54)46-21-9-3-10-22-46)49-35-31-45(32-36-49)52-41-60-56(40-51(52)44-19-7-2-8-20-44)63(47-23-11-4-12-24-47)55-26-14-16-28-59(55)65-60/h1-41H
InChIKeyMDBAWXLWBDQHEK-UHFFFAOYSA-N
XLogP17.67
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.08
LogP ≤ 517.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis[4-[4-(4-phenothiazin-10-ylphenyl)phenyl]phenyl]-4-phenylaniline;9,9-dimethyl-N,N-bis[4-[4-(4-phenoxazin-10-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 162159610
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 129062188
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine;N-[4-(4-methoxyphenyl)phenyl]-10-phenyl-N-[4-(10-phenylspiro[acridine-9,1'-cyclopentane]-2-yl)phenyl]phenoxazin-3-amine;10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine
CID 158449090
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
N-(4-dibenzofuran-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine;10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine;10-phenyl-N-(10-phenylphenothiazin-3-yl)-N-(4-phenylphenyl)phenoxazin-3-amine;10-phenyl-N-(10-phenylphenoxazin-3-yl)-N-(4-phenylphenyl)phenoxazin-3-amine;10-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]phenoxazin-3-amine
CID 158784981
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane
CID 144768210
3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157154846
10-dibenzothiophen-3-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenoxazin-3-amine
CID 164811783

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine?
The IUPAC name of N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine (CID 90194649) is N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine.
What is the SMILES notation for N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine?
The canonical SMILES for N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc5c(cc4-c4ccccc4)N(c4ccccc4)c4ccccc4S5)cc3)c3ccc4c(c3)Oc3ccccc3N4c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine?
The InChIKey is MDBAWXLWBDQHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3OS/c1-5-17-42(18-6-1)43-29-33-48(34-30-43)61(50-37-38-54-58(39-50)64-57-27-15-13-25-53(57)62(54)46-21-9-3-10-22-46)49-35-31-45(32-36-49)52-41-60-56(40-51(52)44-19-7-2-8-20-44)63(47-23-11-4-12-24-47)55-26-14-16-28-59(55)65-60/h1-41H.
What are the key properties of N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine?
N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine has a molecular weight of 852.08 g/mol, XLogP of 17.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine is sourced from PubChem (CID 90194649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).