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

C51H33N5O — CID 123861198

IUPAC10-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
SMILESc1cccc(N2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3Oc3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c#1
InChIInChI=1S/C51H33N5O/c1-6-16-36(17-7-1)37-26-29-43(30-27-37)55(41-22-12-4-13-23-41)44-31-33-46-48(35-44)57-47-34-40(28-32-45(47)56(46)42-24-14-5-15-25-42)51-53-49(38-18-8-2-9-19-38)52-50(54-51)39-20-10-3-11-21-39/h1-14,16-24,26-35H
InChIKeyHXRRHQXJYPFDLQ-UHFFFAOYSA-N
MW731.86 g/mol
LogP13.19
Rot. Bonds8

About 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

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 (PubChem CID 123861198) has the molecular formula C51H33N5O and a molecular weight of 731.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID123861198
Molecular FormulaC51H33N5O
Molecular Weight731.86 g/mol
Exact Mass731.27
IUPAC Name10-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
SMILESc1cccc(N2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3Oc3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c#1
InChIInChI=1S/C51H33N5O/c1-6-16-36(17-7-1)37-26-29-43(30-27-37)55(41-22-12-4-13-23-41)44-31-33-46-48(35-44)57-47-34-40(28-32-45(47)56(46)42-24-14-5-15-25-42)51-53-49(38-18-8-2-9-19-38)52-50(54-51)39-20-10-3-11-21-39/h1-14,16-24,26-35H
InChIKeyHXRRHQXJYPFDLQ-UHFFFAOYSA-N
XLogP13.19
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-N,N-bis(4-phenylphenyl)phenothiazin-3-amine;ethane
CID 144768210
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
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
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095491
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenoxazin-10-ylphenoxazine
CID 163735703
N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline
CID 59779628
4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 58028604
N-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028686
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline
CID 145009490
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095126
7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095890

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cccc(N2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3Oc3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)ccc32)c#1.
What is the InChIKey of 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?
The InChIKey is HXRRHQXJYPFDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5O/c1-6-16-36(17-7-1)37-26-29-43(30-27-37)55(41-22-12-4-13-23-41)44-31-33-46-48(35-44)57-47-34-40(28-32-45(47)56(46)42-24-14-5-15-25-42)51-53-49(38-18-8-2-9-19-38)52-50(54-51)39-20-10-3-11-21-39/h1-14,16-24,26-35H.
What are the key properties of 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?
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 has a molecular weight of 731.86 g/mol, XLogP of 13.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123861198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).