2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane

C32H41N7 — CID 123946748

IUPAC2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane
SMILESc1ccc(N2C3CCCC(C3)N(c3ccccc3)C3CC(NCN3)N(c3ccccc3)C3CC2NCN3)cc1
InChIInChI=1S/C32H41N7/c1-4-11-24(12-5-1)37-27-17-10-18-28(19-27)38(25-13-6-2-7-14-25)30-21-32(36-23-34-30)39(26-15-8-3-9-16-26)31-20-29(37)33-22-35-31/h1-9,11-16,27-36H,10,17-23H2
InChIKeyPOMXOGQFHXQZFQ-UHFFFAOYSA-N
MW523.73 g/mol
LogP4.22
Rot. Bonds3

About 2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane

2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane (PubChem CID 123946748) has the molecular formula C32H41N7 and a molecular weight of 523.73 g/mol. Its IUPAC name is 2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane.

Molecular Properties

Compound Name2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane
PubChem CID123946748
Molecular FormulaC32H41N7
Molecular Weight523.73 g/mol
Exact Mass523.34
IUPAC Name2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane
SMILESc1ccc(N2C3CCCC(C3)N(c3ccccc3)C3CC(NCN3)N(c3ccccc3)C3CC2NCN3)cc1
InChIInChI=1S/C32H41N7/c1-4-11-24(12-5-1)37-27-17-10-18-28(19-27)38(25-13-6-2-7-14-25)30-21-32(36-23-34-30)39(26-15-8-3-9-16-26)31-20-29(37)33-22-35-31/h1-9,11-16,27-36H,10,17-23H2
InChIKeyPOMXOGQFHXQZFQ-UHFFFAOYSA-N
XLogP4.22
TPSA57.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.73
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane?
The IUPAC name of 2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane (CID 123946748) is 2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane.
What is the SMILES notation for 2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane?
The canonical SMILES for 2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane is c1ccc(N2C3CCCC(C3)N(c3ccccc3)C3CC(NCN3)N(c3ccccc3)C3CC2NCN3)cc1.
What is the InChIKey of 2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane?
The InChIKey is POMXOGQFHXQZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N7/c1-4-11-24(12-5-1)37-27-17-10-18-28(19-27)38(25-13-6-2-7-14-25)30-21-32(36-23-34-30)39(26-15-8-3-9-16-26)31-20-29(37)33-22-35-31/h1-9,11-16,27-36H,10,17-23H2.
What are the key properties of 2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane?
2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane has a molecular weight of 523.73 g/mol, XLogP of 4.22, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane is sourced from PubChem (CID 123946748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).