3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene

C25H21N — CID 123146491

IUPAC3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene
SMILESC1=CC2=CC=C3C=c4c5c(cnc4=C4C=CC(=C1)C2C34)C1CCC5CC1
InChIInChI=1S/C25H21N/c1-2-15-8-9-18-12-20-23-17-6-4-14(5-7-17)21(23)13-26-25(20)19-11-10-16(3-1)22(15)24(18)19/h1-3,8-14,17,22,24H,4-7H2
InChIKeyBLJYXOYTQHVKNC-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.95
Rot. Bonds

About 3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene

3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene (PubChem CID 123146491) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene.

Molecular Properties

Compound Name3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene
PubChem CID123146491
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene
SMILESC1=CC2=CC=C3C=c4c5c(cnc4=C4C=CC(=C1)C2C34)C1CCC5CC1
InChIInChI=1S/C25H21N/c1-2-15-8-9-18-12-20-23-17-6-4-14(5-7-17)21(23)13-26-25(20)19-11-10-16(3-1)22(15)24(18)19/h1-3,8-14,17,22,24H,4-7H2
InChIKeyBLJYXOYTQHVKNC-UHFFFAOYSA-N
XLogP3.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene with MolForge

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Related Compounds

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(12cR,12dS)-12c,12d-dimethyl-2,7,11,12-tetrahydropyreno[5,4-b]pyridine
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(12cR,12dR)-12c,12d-dimethyl-2,7,11,12-tetrahydropyreno[5,4-c]pyridine
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4-[4-[10-(4-Cyclohexyl-2,3-dihydronaphthalen-1-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-2-methyl-2,3-dihydropyridine
CID 88488240
4-[4-[10-(2,3-Dihydronaphthalen-1-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydropyridine
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N-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine
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Frequently Asked Questions

What is the IUPAC name of 3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene?
The IUPAC name of 3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene (CID 123146491) is 3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene.
What is the SMILES notation for 3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene?
The canonical SMILES for 3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene is C1=CC2=CC=C3C=c4c5c(cnc4=C4C=CC(=C1)C2C34)C1CCC5CC1.
What is the InChIKey of 3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene?
The InChIKey is BLJYXOYTQHVKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-2-15-8-9-18-12-20-23-17-6-4-14(5-7-17)21(23)13-26-25(20)19-11-10-16(3-1)22(15)24(18)19/h1-3,8-14,17,22,24H,4-7H2.
What are the key properties of 3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene?
3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene has a molecular weight of 335.45 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaheptacyclo[14.6.2.26,9.02,11.05,10.013,23.020,24]hexacosa-1,3,5(10),11,13,15,17,19,21-nonaene is sourced from PubChem (CID 123146491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).