2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene

C40H30N4 — CID 58300561

IUPAC2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene
SMILESc1ccc(-c2cncc(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)cncc(-c3ccccc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C40H30N4/c1-5-13-29(14-6-1)33-25-41-26-34(30-15-7-2-8-16-30)39-23-24-40(44-39)36(32-19-11-4-12-20-32)28-42-27-35(31-17-9-3-10-18-31)38-22-21-37(33)43-38/h1-28,43-44H/b33-25-,34-26+,35-27-,36-28+,37-33+,38-35+,39-34-,40-36-,41-25-,41-26+,42-27-,42-28+
InChIKeyVBPRWIFMVIZGHE-MPLMEJGYSA-N
MW566.71 g/mol
LogP10.36
Rot. Bonds4

About 2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene

2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene (PubChem CID 58300561) has the molecular formula C40H30N4 and a molecular weight of 566.71 g/mol. Its IUPAC name is 2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene.

Molecular Properties

Compound Name2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene
PubChem CID58300561
Molecular FormulaC40H30N4
Molecular Weight566.71 g/mol
Exact Mass566.25
IUPAC Name2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene
SMILESc1ccc(-c2cncc(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)cncc(-c3ccccc3)c3ccc2[nH]3)cc1
InChIInChI=1S/C40H30N4/c1-5-13-29(14-6-1)33-25-41-26-34(30-15-7-2-8-16-30)39-23-24-40(44-39)36(32-19-11-4-12-20-32)28-42-27-35(31-17-9-3-10-18-31)38-22-21-37(33)43-38/h1-28,43-44H/b33-25-,34-26+,35-27-,36-28+,37-33+,38-35+,39-34-,40-36-,41-25-,41-26+,42-27-,42-28+
InChIKeyVBPRWIFMVIZGHE-MPLMEJGYSA-N
XLogP10.36
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 510.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene?
The IUPAC name of 2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene (CID 58300561) is 2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene.
What is the SMILES notation for 2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene?
The canonical SMILES for 2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene is c1ccc(-c2cncc(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)cncc(-c3ccccc3)c3ccc2[nH]3)cc1.
What is the InChIKey of 2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene?
The InChIKey is VBPRWIFMVIZGHE-MPLMEJGYSA-N. The full InChI is InChI=1S/C40H30N4/c1-5-13-29(14-6-1)33-25-41-26-34(30-15-7-2-8-16-30)39-23-24-40(44-39)36(32-19-11-4-12-20-32)28-42-27-35(31-17-9-3-10-18-31)38-22-21-37(33)43-38/h1-28,43-44H/b33-25-,34-26+,35-27-,36-28+,37-33+,38-35+,39-34-,40-36-,41-25-,41-26+,42-27-,42-28+.
What are the key properties of 2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene?
2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene has a molecular weight of 566.71 g/mol, XLogP of 10.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,11,15-tetraphenyl-4,13,19,20-tetrazatricyclo[14.2.1.17,10]icosa-1(18),2,4,6,8,10,12,14,16-nonaene is sourced from PubChem (CID 58300561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).