7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene

C34H22N4 — CID 90223133

IUPAC7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
SMILESc1ccc(-n2ccc3cc4c(ccc5c6ccccc6n(-c6ccc(-c7ccccn7)nc6)c45)cc32)cc1
InChIInChI=1S/C34H22N4/c1-2-8-25(9-3-1)37-19-17-24-20-29-23(21-33(24)37)13-15-28-27-10-4-5-12-32(27)38(34(28)29)26-14-16-31(36-22-26)30-11-6-7-18-35-30/h1-22H
InChIKeyWKDYPJDMDCAKCC-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.34
Rot. Bonds3

About 7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene

7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene (PubChem CID 90223133) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene.

Molecular Properties

Compound Name7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
PubChem CID90223133
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
SMILESc1ccc(-n2ccc3cc4c(ccc5c6ccccc6n(-c6ccc(-c7ccccn7)nc6)c45)cc32)cc1
InChIInChI=1S/C34H22N4/c1-2-8-25(9-3-1)37-19-17-24-20-29-23(21-33(24)37)13-15-28-27-10-4-5-12-32(27)38(34(28)29)26-14-16-31(36-22-26)30-11-6-7-18-35-30/h1-22H
InChIKeyWKDYPJDMDCAKCC-UHFFFAOYSA-N
XLogP8.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene with MolForge

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Related Compounds

7-phenyl-20-(9-phenylcarbazol-3-yl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223118
10-(2,6-dipyridin-2-yl-4-pyridinyl)-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223602
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223094
7-phenyl-20-(3-phenylphenyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223138
20-isoquinolin-4-yl-7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223230
triphenyl-[4-(5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaen-20-yl)phenyl]silane
CID 90222904
20-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaene
CID 90222913
20-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223210
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaene
CID 90222919
11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 123940572
9-(6-pyridin-2-yl-3-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361292
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-5,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2,4(8),6,9,11,14,16,18-nonaene
CID 90223375

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene?
The IUPAC name of 7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene (CID 90223133) is 7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene.
What is the SMILES notation for 7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene?
The canonical SMILES for 7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene is c1ccc(-n2ccc3cc4c(ccc5c6ccccc6n(-c6ccc(-c7ccccn7)nc6)c45)cc32)cc1.
What is the InChIKey of 7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene?
The InChIKey is WKDYPJDMDCAKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-2-8-25(9-3-1)37-19-17-24-20-29-23(21-33(24)37)13-15-28-27-10-4-5-12-32(27)38(34(28)29)26-14-16-31(36-22-26)30-11-6-7-18-35-30/h1-22H.
What are the key properties of 7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene?
7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene has a molecular weight of 486.58 g/mol, XLogP of 8.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-20-(6-pyridin-2-yl-3-pyridinyl)-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene is sourced from PubChem (CID 90223133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).