9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane

C25H31N — CID 145125960

IUPAC9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
SMILESCC.CC.CC.c1ccc2c(c1)Cc1ccc3[nH]c4ccccc4c3c1-2
InChIInChI=1S/C19H13N.3C2H6/c1-2-6-14-12(5-1)11-13-9-10-17-19(18(13)14)15-7-3-4-8-16(15)20-17;3*1-2/h1-10,20H,11H2;3*1-2H3
InChIKeyPNYZQRQAUHPQEC-UHFFFAOYSA-N
MW345.53 g/mol
LogP7.97
Rot. Bonds

About 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane

9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane (PubChem CID 145125960) has the molecular formula C25H31N and a molecular weight of 345.53 g/mol. Its IUPAC name is 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane.

Molecular Properties

Compound Name9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
PubChem CID145125960
Molecular FormulaC25H31N
Molecular Weight345.53 g/mol
Exact Mass345.25
IUPAC Name9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
SMILESCC.CC.CC.c1ccc2c(c1)Cc1ccc3[nH]c4ccccc4c3c1-2
InChIInChI=1S/C19H13N.3C2H6/c1-2-6-14-12(5-1)11-13-9-10-17-19(18(13)14)15-7-3-4-8-16(15)20-17;3*1-2/h1-10,20H,11H2;3*1-2H3
InChIKeyPNYZQRQAUHPQEC-UHFFFAOYSA-N
XLogP7.97
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7H-benzo[c]fluoren-2-yl)-7H-benzo[c]carbazole
CID 158124892
9H-carbazole;bis(9H-fluorene)
CID 158703465
7,12-dihydroindeno[1,2-a]carbazole
CID 58472013
9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 158392465
5,10-dihydroindeno[1,2-b]indole;ethane
CID 143208166
ethane;4-phenyl-9H-carbazole
CID 168948755
6,12-dibromo-5,11-dihydroindeno[1,2-b]carbazole
CID 159885626
12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 118488485
1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene
CID 157378116
2-methyl-5,11-dihydroindeno[1,2-b]carbazole
CID 146579673
CID 169220550
CID 169220550
bis(9H-carbazole);ethane
CID 145072085

Frequently Asked Questions

What is the IUPAC name of 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane?
The IUPAC name of 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane (CID 145125960) is 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane.
What is the SMILES notation for 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane?
The canonical SMILES for 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane is CC.CC.CC.c1ccc2c(c1)Cc1ccc3[nH]c4ccccc4c3c1-2.
What is the InChIKey of 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane?
The InChIKey is PNYZQRQAUHPQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N.3C2H6/c1-2-6-14-12(5-1)11-13-9-10-17-19(18(13)14)15-7-3-4-8-16(15)20-17;3*1-2/h1-10,20H,11H2;3*1-2H3.
What are the key properties of 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane?
9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane has a molecular weight of 345.53 g/mol, XLogP of 7.97, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane is sourced from PubChem (CID 145125960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).