(10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene

C38H26N2O2 — CID 87325787

IUPAC(10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene
SMILESC1=C\c2ccccc2-c2c(c(Oc3ccccc3)c(Oc3ccccc3)c(-c3ccccc3)c2-c2ccccc2)\N=N/1
InChIInChI=1S/C38H26N2O2/c1-5-16-28(17-6-1)33-34(29-18-7-2-8-19-29)37(41-30-20-9-3-10-21-30)38(42-31-22-11-4-12-23-31)36-35(33)32-24-14-13-15-27(32)25-26-39-40-36/h1-26H/b26-25-,27-25-,35-32-,39-26-,40-36+,40-39-
InChIKeyOSEVUGORILSJGU-BMSFWAGSSA-N
MW542.64 g/mol
LogP11.34
Rot. Bonds6

About (10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene

(10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene (PubChem CID 87325787) has the molecular formula C38H26N2O2 and a molecular weight of 542.64 g/mol. Its IUPAC name is (10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene.

Molecular Properties

Compound Name(10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene
PubChem CID87325787
Molecular FormulaC38H26N2O2
Molecular Weight542.64 g/mol
Exact Mass542.20
IUPAC Name(10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene
SMILESC1=C\c2ccccc2-c2c(c(Oc3ccccc3)c(Oc3ccccc3)c(-c3ccccc3)c2-c2ccccc2)\N=N/1
InChIInChI=1S/C38H26N2O2/c1-5-16-28(17-6-1)33-34(29-18-7-2-8-19-29)37(41-30-20-9-3-10-21-30)38(42-31-22-11-4-12-23-31)36-35(33)32-24-14-13-15-27(32)25-26-39-40-36/h1-26H/b26-25-,27-25-,35-32-,39-26-,40-36+,40-39-
InChIKeyOSEVUGORILSJGU-BMSFWAGSSA-N
XLogP11.34
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.64
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene with MolForge

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Related Compounds

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2-phenoxy-1-[2-phenoxy-3-(2-phenylphenyl)phenoxy]-3-(2-phenylphenyl)benzene
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CID 137183911
5-phenoxy-12-phenyltetracene
CID 59758379
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CID 13327262
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CID 140825339
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
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CID 178069232
3-(4-phenoxyphenyl)-1-phenylnaphthalene
CID 176904276

Frequently Asked Questions

What is the IUPAC name of (10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene?
The IUPAC name of (10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene (CID 87325787) is (10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene.
What is the SMILES notation for (10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene?
The canonical SMILES for (10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene is C1=C\c2ccccc2-c2c(c(Oc3ccccc3)c(Oc3ccccc3)c(-c3ccccc3)c2-c2ccccc2)\N=N/1.
What is the InChIKey of (10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene?
The InChIKey is OSEVUGORILSJGU-BMSFWAGSSA-N. The full InChI is InChI=1S/C38H26N2O2/c1-5-16-28(17-6-1)33-34(29-18-7-2-8-19-29)37(41-30-20-9-3-10-21-30)38(42-31-22-11-4-12-23-31)36-35(33)32-24-14-13-15-27(32)25-26-39-40-36/h1-26H/b26-25-,27-25-,35-32-,39-26-,40-36+,40-39-.
What are the key properties of (10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene?
(10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene has a molecular weight of 542.64 g/mol, XLogP of 11.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-5,6-diphenoxy-3,4-diphenyl-8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,8,10,12,14-octaene is sourced from PubChem (CID 87325787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).