20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene

C31H23N3 — CID 71037148

IUPAC20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
SMILESCC1(C)c2ccccc2-c2ccc3c4ncccc4n(-c4cccc(-c5ccccn5)c4)c3c21
InChIInChI=1S/C31H23N3/c1-31(2)25-12-4-3-11-22(25)23-15-16-24-29-27(14-8-18-33-29)34(30(24)28(23)31)21-10-7-9-20(19-21)26-13-5-6-17-32-26/h3-19H,1-2H3
InChIKeyVVNPGLPCERMWFW-UHFFFAOYSA-N
MW437.55 g/mol
LogP7.55
Rot. Bonds2

About 20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene

20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene (PubChem CID 71037148) has the molecular formula C31H23N3 and a molecular weight of 437.55 g/mol. Its IUPAC name is 20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
PubChem CID71037148
Molecular FormulaC31H23N3
Molecular Weight437.55 g/mol
Exact Mass437.19
IUPAC Name20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
SMILESCC1(C)c2ccccc2-c2ccc3c4ncccc4n(-c4cccc(-c5ccccn5)c4)c3c21
InChIInChI=1S/C31H23N3/c1-31(2)25-12-4-3-11-22(25)23-15-16-24-29-27(14-8-18-33-29)34(30(24)28(23)31)21-10-7-9-20(19-21)26-13-5-6-17-32-26/h3-19H,1-2H3
InChIKeyVVNPGLPCERMWFW-UHFFFAOYSA-N
XLogP7.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene with MolForge

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Related Compounds

20,20-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 89211852
3-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 71037140
11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126630778
11-(4,6-diphenylpyrimidin-2-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 159253282
12,12-dimethyl-11-[3-(4,5,6-trimethylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole
CID 139516699
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-20,20-dimethyl-3,11-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaene
CID 138631304
12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
CID 90324685
12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
CID 118502203
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
CID 89115162
2-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130333806

Frequently Asked Questions

What is the IUPAC name of 20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
The IUPAC name of 20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene (CID 71037148) is 20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene.
What is the SMILES notation for 20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
The canonical SMILES for 20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene is CC1(C)c2ccccc2-c2ccc3c4ncccc4n(-c4cccc(-c5ccccn5)c4)c3c21.
What is the InChIKey of 20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
The InChIKey is VVNPGLPCERMWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3/c1-31(2)25-12-4-3-11-22(25)23-15-16-24-29-27(14-8-18-33-29)34(30(24)28(23)31)21-10-7-9-20(19-21)26-13-5-6-17-32-26/h3-19H,1-2H3.
What are the key properties of 20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene?
20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene has a molecular weight of 437.55 g/mol, XLogP of 7.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene is sourced from PubChem (CID 71037148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).