13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene

C22H17N — CID 18434904

IUPAC13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene
SMILESC1=CC2=C(CC=C3C=NC=c4cc5ccccc5cc4=C32)CC1
InChIInChI=1S/C22H17N/c1-2-7-17-12-21-19(11-16(17)6-1)14-23-13-18-10-9-15-5-3-4-8-20(15)22(18)21/h1-2,4,6-8,10-14H,3,5,9H2
InChIKeyBDOIJCPZMZUWII-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.79
Rot. Bonds

About 13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene

13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene (PubChem CID 18434904) has the molecular formula C22H17N and a molecular weight of 295.39 g/mol. Its IUPAC name is 13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene.

Molecular Properties

Compound Name13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene
PubChem CID18434904
Molecular FormulaC22H17N
Molecular Weight295.39 g/mol
Exact Mass295.14
IUPAC Name13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene
SMILESC1=CC2=C(CC=C3C=NC=c4cc5ccccc5cc4=C32)CC1
InChIInChI=1S/C22H17N/c1-2-7-17-12-21-19(11-16(17)6-1)14-23-13-18-10-9-15-5-3-4-8-20(15)22(18)21/h1-2,4,6-8,10-14H,3,5,9H2
InChIKeyBDOIJCPZMZUWII-UHFFFAOYSA-N
XLogP3.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene?
The IUPAC name of 13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene (CID 18434904) is 13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene.
What is the SMILES notation for 13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene?
The canonical SMILES for 13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene is C1=CC2=C(CC=C3C=NC=c4cc5ccccc5cc4=C32)CC1.
What is the InChIKey of 13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene?
The InChIKey is BDOIJCPZMZUWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N/c1-2-7-17-12-21-19(11-16(17)6-1)14-23-13-18-10-9-15-5-3-4-8-20(15)22(18)21/h1-2,4,6-8,10-14H,3,5,9H2.
What are the key properties of 13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene?
13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene has a molecular weight of 295.39 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-azapentacyclo[13.8.0.02,11.03,8.017,22]tricosa-1,3(8),4,10,12,14,16,18,20,22-decaene is sourced from PubChem (CID 18434904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).