2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene

C36H24N4 — CID 145243713

IUPAC2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene
SMILESc1ccc(N2c3cc4[nH]c5ccccc5c4cc3N(c3ccccc3)c3cc4[nH]c5ccccc5c4cc32)cc1
InChIInChI=1S/C36H24N4/c1-3-11-23(12-4-1)39-33-19-27-25-15-7-9-17-29(25)38-32(27)22-36(33)40(24-13-5-2-6-14-24)34-20-28-26-16-8-10-18-30(26)37-31(28)21-35(34)39/h1-22,37-38H
InChIKeyWYNOKNZPOPVGJQ-UHFFFAOYSA-N
MW512.62 g/mol
LogP10.21
Rot. Bonds2

About 2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene

2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene (PubChem CID 145243713) has the molecular formula C36H24N4 and a molecular weight of 512.62 g/mol. Its IUPAC name is 2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene.

Molecular Properties

Compound Name2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene
PubChem CID145243713
Molecular FormulaC36H24N4
Molecular Weight512.62 g/mol
Exact Mass512.20
IUPAC Name2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene
SMILESc1ccc(N2c3cc4[nH]c5ccccc5c4cc3N(c3ccccc3)c3cc4[nH]c5ccccc5c4cc32)cc1
InChIInChI=1S/C36H24N4/c1-3-11-23(12-4-1)39-33-19-27-25-15-7-9-17-29(25)38-32(27)22-36(33)40(24-13-5-2-6-14-24)34-20-28-26-16-8-10-18-30(26)37-31(28)21-35(34)39/h1-22,37-38H
InChIKeyWYNOKNZPOPVGJQ-UHFFFAOYSA-N
XLogP10.21
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 510.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene?
The IUPAC name of 2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene (CID 145243713) is 2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene.
What is the SMILES notation for 2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene?
The canonical SMILES for 2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene is c1ccc(N2c3cc4[nH]c5ccccc5c4cc3N(c3ccccc3)c3cc4[nH]c5ccccc5c4cc32)cc1.
What is the InChIKey of 2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene?
The InChIKey is WYNOKNZPOPVGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4/c1-3-11-23(12-4-1)39-33-19-27-25-15-7-9-17-29(25)38-32(27)22-36(33)40(24-13-5-2-6-14-24)34-20-28-26-16-8-10-18-30(26)37-31(28)21-35(34)39/h1-22,37-38H.
What are the key properties of 2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene?
2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene has a molecular weight of 512.62 g/mol, XLogP of 10.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,16-diphenyl-2,12,16,26-tetrazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene is sourced from PubChem (CID 145243713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).