2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine

C40H36N4 — CID 85430266

IUPAC2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine
SMILESc1ccc(NC2c3cccc(c3)C(Nc3ccccc3)C(Nc3ccccc3)c3cccc(c3)C2Nc2ccccc2)cc1
InChIInChI=1S/C40H36N4/c1-5-19-33(20-6-1)41-37-29-15-13-17-31(27-29)39(43-35-23-9-3-10-24-35)40(44-36-25-11-4-12-26-36)32-18-14-16-30(28-32)38(37)42-34-21-7-2-8-22-34/h1-28,37-44H
InChIKeyGNPLYHBOGOHSSB-UHFFFAOYSA-N
MW572.76 g/mol
LogP10.01
Rot. Bonds8

About 2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine

2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine (PubChem CID 85430266) has the molecular formula C40H36N4 and a molecular weight of 572.76 g/mol. Its IUPAC name is 2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine.

Molecular Properties

Compound Name2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine
PubChem CID85430266
Molecular FormulaC40H36N4
Molecular Weight572.76 g/mol
Exact Mass572.29
IUPAC Name2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine
SMILESc1ccc(NC2c3cccc(c3)C(Nc3ccccc3)C(Nc3ccccc3)c3cccc(c3)C2Nc2ccccc2)cc1
InChIInChI=1S/C40H36N4/c1-5-19-33(20-6-1)41-37-29-15-13-17-31(27-29)39(43-35-23-9-3-10-24-35)40(44-36-25-11-4-12-26-36)32-18-14-16-30(28-32)38(37)42-34-21-7-2-8-22-34/h1-28,37-44H
InChIKeyGNPLYHBOGOHSSB-UHFFFAOYSA-N
XLogP10.01
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.76
LogP ≤ 510.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine?
The IUPAC name of 2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine (CID 85430266) is 2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine.
What is the SMILES notation for 2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine?
The canonical SMILES for 2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine is c1ccc(NC2c3cccc(c3)C(Nc3ccccc3)C(Nc3ccccc3)c3cccc(c3)C2Nc2ccccc2)cc1.
What is the InChIKey of 2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine?
The InChIKey is GNPLYHBOGOHSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N4/c1-5-19-33(20-6-1)41-37-29-15-13-17-31(27-29)39(43-35-23-9-3-10-24-35)40(44-36-25-11-4-12-26-36)32-18-14-16-30(28-32)38(37)42-34-21-7-2-8-22-34/h1-28,37-44H.
What are the key properties of 2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine?
2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine has a molecular weight of 572.76 g/mol, XLogP of 10.01, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,9-N,10-N-tetraphenyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene-2,3,9,10-tetramine is sourced from PubChem (CID 85430266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).