2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol

C31H22N2O2 — CID 164796527

IUPAC2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol
SMILESCC1(C)c2ccc(-c3ccccn3)cc2-c2c1ccc1oc3ccc(-c4ccccc4O)nc3c21
InChIInChI=1S/C31H22N2O2/c1-31(2)21-11-10-18(23-8-5-6-16-32-23)17-20(21)28-22(31)12-14-26-29(28)30-27(35-26)15-13-24(33-30)19-7-3-4-9-25(19)34/h3-17,34H,1-2H3
InChIKeyBFVOKTYXUOSBEV-UHFFFAOYSA-N
MW454.53 g/mol
LogP7.72
Rot. Bonds2

About 2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol

2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol (PubChem CID 164796527) has the molecular formula C31H22N2O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol.

Molecular Properties

Compound Name2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol
PubChem CID164796527
Molecular FormulaC31H22N2O2
Molecular Weight454.53 g/mol
Exact Mass454.17
IUPAC Name2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol
SMILESCC1(C)c2ccc(-c3ccccn3)cc2-c2c1ccc1oc3ccc(-c4ccccc4O)nc3c21
InChIInChI=1S/C31H22N2O2/c1-31(2)21-11-10-18(23-8-5-6-16-32-23)17-20(21)28-22(31)12-14-26-29(28)30-27(35-26)15-13-24(33-30)19-7-3-4-9-25(19)34/h3-17,34H,1-2H3
InChIKeyBFVOKTYXUOSBEV-UHFFFAOYSA-N
XLogP7.72
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol with MolForge

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Related Compounds

2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
2-(22,22-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaenyl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 164832646
2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138575917
2-(9,14-diphenyl-18-pyridin-2-yl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol
CID 164796460
2-[4-[2-(1-phenylethyl)-5-pyridin-2-ylphenyl]-1,3-benzoxazol-2-yl]phenol
CID 164743200
4-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 146632178
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine
CID 118668369
2-[3-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine
CID 59195620
15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol
CID 171580001
2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138574917
2-(5,5-dipropyl-8-pyridin-2-yl-[1]benzogermolo[3,2-b]pyridin-2-yl)phenol
CID 153499183

Frequently Asked Questions

What is the IUPAC name of 2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol?
The IUPAC name of 2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol (CID 164796527) is 2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol.
What is the SMILES notation for 2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol?
The canonical SMILES for 2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol is CC1(C)c2ccc(-c3ccccn3)cc2-c2c1ccc1oc3ccc(-c4ccccc4O)nc3c21.
What is the InChIKey of 2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol?
The InChIKey is BFVOKTYXUOSBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O2/c1-31(2)21-11-10-18(23-8-5-6-16-32-23)17-20(21)28-22(31)12-14-26-29(28)30-27(35-26)15-13-24(33-30)19-7-3-4-9-25(19)34/h3-17,34H,1-2H3.
What are the key properties of 2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol?
2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol has a molecular weight of 454.53 g/mol, XLogP of 7.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(14,14-dimethyl-18-pyridin-2-yl-9-oxa-4-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)phenol is sourced from PubChem (CID 164796527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).