10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane

C32H55N7 — CID 91502192

IUPAC10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane
SMILESC1CCC2C3NC(NC4NC(NC5NC(C6CCCCC56)C5NC(N3)C3CCCCC35)C3CCCCC43)C2C1
InChIInChI=1S/C32H55N7/c1-3-11-19-17(9-1)25-26-18-10-2-4-12-20(18)28(34-26)36-30-22-14-6-8-16-24(22)32(38-30)39-31-23-15-7-5-13-21(23)29(37-31)35-27(19)33-25/h17-39H,1-16H2
InChIKeySUZAHCWEZVWSAW-UHFFFAOYSA-N
MW537.84 g/mol
LogP3.10
Rot. Bonds

About 10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane

10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane (PubChem CID 91502192) has the molecular formula C32H55N7 and a molecular weight of 537.84 g/mol. Its IUPAC name is 10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane.

Molecular Properties

Compound Name10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane
PubChem CID91502192
Molecular FormulaC32H55N7
Molecular Weight537.84 g/mol
Exact Mass537.45
IUPAC Name10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane
SMILESC1CCC2C3NC(NC4NC(NC5NC(C6CCCCC56)C5NC(N3)C3CCCCC35)C3CCCCC43)C2C1
InChIInChI=1S/C32H55N7/c1-3-11-19-17(9-1)25-26-18-10-2-4-12-20(18)28(34-26)36-30-22-14-6-8-16-24(22)32(38-30)39-31-23-15-7-5-13-21(23)29(37-31)35-27(19)33-25/h17-39H,1-16H2
InChIKeySUZAHCWEZVWSAW-UHFFFAOYSA-N
XLogP3.10
TPSA84.21 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.84
LogP ≤ 53.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane?
The IUPAC name of 10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane (CID 91502192) is 10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane.
What is the SMILES notation for 10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane?
The canonical SMILES for 10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane is C1CCC2C3NC(NC4NC(NC5NC(C6CCCCC56)C5NC(N3)C3CCCCC35)C3CCCCC43)C2C1.
What is the InChIKey of 10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane?
The InChIKey is SUZAHCWEZVWSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H55N7/c1-3-11-19-17(9-1)25-26-18-10-2-4-12-20(18)28(34-26)36-30-22-14-6-8-16-24(22)32(38-30)39-31-23-15-7-5-13-21(23)29(37-31)35-27(19)33-25/h17-39H,1-16H2.
What are the key properties of 10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane?
10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane has a molecular weight of 537.84 g/mol, XLogP of 3.10, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10,19,28,36,37,38,39-heptazanonacyclo[27.6.1.12,9.111,18.120,27.03,8.012,17.021,26.030,35]nonatriacontane is sourced from PubChem (CID 91502192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).