9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol

C35H23N3O — CID 157483049

IUPAC9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol
SMILESOc1cccc2c3c4c(ccc3n(-c3cccc(-c5cccc(-c6ccccn6)c5)n3)c12)Cc1ccccc1-4
InChIInChI=1S/C35H23N3O/c39-31-15-6-12-27-34-30(18-17-25-20-22-8-1-2-11-26(22)33(25)34)38(35(27)31)32-16-7-14-29(37-32)24-10-5-9-23(21-24)28-13-3-4-19-36-28/h1-19,21,39H,20H2
InChIKeyCDGMTCUFVVZACG-UHFFFAOYSA-N
MW501.59 g/mol
LogP8.18
Rot. Bonds3

About 9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol

9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol (PubChem CID 157483049) has the molecular formula C35H23N3O and a molecular weight of 501.59 g/mol. Its IUPAC name is 9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol.

Molecular Properties

Compound Name9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol
PubChem CID157483049
Molecular FormulaC35H23N3O
Molecular Weight501.59 g/mol
Exact Mass501.18
IUPAC Name9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol
SMILESOc1cccc2c3c4c(ccc3n(-c3cccc(-c5cccc(-c6ccccn6)c5)n3)c12)Cc1ccccc1-4
InChIInChI=1S/C35H23N3O/c39-31-15-6-12-27-34-30(18-17-25-20-22-8-1-2-11-26(22)33(25)34)38(35(27)31)32-16-7-14-29(37-32)24-10-5-9-23(21-24)28-13-3-4-19-36-28/h1-19,21,39H,20H2
InChIKeyCDGMTCUFVVZACG-UHFFFAOYSA-N
XLogP8.18
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol 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-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol
CID 157483052
3,6-difluoro-9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]carbazole
CID 153499070
2-[3-(4-methyl-2,3-diphenyl-9H-fluoren-1-yl)phenyl]pyridine
CID 150843881
9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122434437
6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 160643943
2-[2-(9H-fluoren-4-yl)-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 146886116
2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine
CID 159911696
2-[3-[3-fluoranthen-3-yl-7-(3-pyridin-2-ylphenyl)benzo[k]fluoranthen-12-yl]phenyl]pyridine
CID 59629683
9,14-bis(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504672
9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58570081
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
5-(6-phenyl-2-pyridinyl)-11-(6-pyridin-2-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118504611

Frequently Asked Questions

What is the IUPAC name of 9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol?
The IUPAC name of 9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol (CID 157483049) is 9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol.
What is the SMILES notation for 9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol?
The canonical SMILES for 9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol is Oc1cccc2c3c4c(ccc3n(-c3cccc(-c5cccc(-c6ccccn6)c5)n3)c12)Cc1ccccc1-4.
What is the InChIKey of 9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol?
The InChIKey is CDGMTCUFVVZACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3O/c39-31-15-6-12-27-34-30(18-17-25-20-22-8-1-2-11-26(22)33(25)34)38(35(27)31)32-16-7-14-29(37-32)24-10-5-9-23(21-24)28-13-3-4-19-36-28/h1-19,21,39H,20H2.
What are the key properties of 9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol?
9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol has a molecular weight of 501.59 g/mol, XLogP of 8.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol is sourced from PubChem (CID 157483049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).