7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane

C59H45N5S — CID 144768210

IUPAC7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane
SMILESCC.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Sc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3N4c3ccccc3)cc2)cc1
InChIInChI=1S/C57H39N5S.C2H6/c1-6-16-40(17-7-1)42-26-31-48(32-27-42)61(49-33-28-43(29-34-49)41-18-8-2-9-19-41)50-35-37-52-54(39-50)63-53-38-46(30-36-51(53)62(52)47-24-14-5-15-25-47)57-59-55(44-20-10-3-11-21-44)58-56(60-57)45-22-12-4-13-23-45;1-2/h1-39H;1-2H3
InChIKeyAKCWTPQNDFKXFM-UHFFFAOYSA-N
MW856.11 g/mol
LogP16.64
Rot. Bonds9

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane (PubChem CID 144768210) has the molecular formula C59H45N5S and a molecular weight of 856.11 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane.

Molecular Properties

Compound Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane
PubChem CID144768210
Molecular FormulaC59H45N5S
Molecular Weight856.11 g/mol
Exact Mass855.34
IUPAC Name7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane
SMILESCC.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Sc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3N4c3ccccc3)cc2)cc1
InChIInChI=1S/C57H39N5S.C2H6/c1-6-16-40(17-7-1)42-26-31-48(32-27-42)61(49-33-28-43(29-34-49)41-18-8-2-9-19-41)50-35-37-52-54(39-50)63-53-38-46(30-36-51(53)62(52)47-24-14-5-15-25-47)57-59-55(44-20-10-3-11-21-44)58-56(60-57)45-22-12-4-13-23-45;1-2/h1-39H;1-2H3
InChIKeyAKCWTPQNDFKXFM-UHFFFAOYSA-N
XLogP16.64
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.11
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[4-(2,10-diphenylphenothiazin-3-yl)phenyl]-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine
CID 90194649
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine
CID 160675108
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 134578950
10-cyclohexa-1,3-dien-5-yn-1-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine
CID 123861198
3-(4-fluorophenyl)-7-phenyl-10-(4-phenylphenyl)phenothiazine
CID 71004008
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 90211166
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 58028667
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane
CID 144768267

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane?
The IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane (CID 144768210) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane.
What is the SMILES notation for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane?
The canonical SMILES for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane is CC.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)Sc3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3N4c3ccccc3)cc2)cc1.
What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane?
The InChIKey is AKCWTPQNDFKXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N5S.C2H6/c1-6-16-40(17-7-1)42-26-31-48(32-27-42)61(49-33-28-43(29-34-49)41-18-8-2-9-19-41)50-35-37-52-54(39-50)63-53-38-46(30-36-51(53)62(52)47-24-14-5-15-25-47)57-59-55(44-20-10-3-11-21-44)58-56(60-57)45-22-12-4-13-23-45;1-2/h1-39H;1-2H3.
What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane?
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane has a molecular weight of 856.11 g/mol, XLogP of 16.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane is sourced from PubChem (CID 144768210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).