5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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

C34H22N4 — CID 90223295

IUPAC5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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
SMILESc1ccc(-n2ccc3cc4ccc5c6ccccc6n(-c6cc(-c7cccnc7)ccn6)c5c4cc32)cc1
InChIInChI=1S/C34H22N4/c1-2-8-27(9-3-1)37-18-15-25-19-24-12-13-29-28-10-4-5-11-31(28)38(34(29)30(24)21-32(25)37)33-20-23(14-17-36-33)26-7-6-16-35-22-26/h1-22H
InChIKeyHCEZAZCLAIPNKB-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.34
Rot. Bonds3

About 5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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

5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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 (PubChem CID 90223295) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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.

Molecular Properties

Compound Name5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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
PubChem CID90223295
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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
SMILESc1ccc(-n2ccc3cc4ccc5c6ccccc6n(-c6cc(-c7cccnc7)ccn6)c5c4cc32)cc1
InChIInChI=1S/C34H22N4/c1-2-8-27(9-3-1)37-18-15-25-19-24-12-13-29-28-10-4-5-11-31(28)38(34(29)30(24)21-32(25)37)33-20-23(14-17-36-33)26-7-6-16-35-22-26/h1-22H
InChIKeyHCEZAZCLAIPNKB-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 5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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 with MolForge

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Related Compounds

16-phenyl-10-(4-pyridin-3-yl-2-pyridinyl)-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 90223541
6-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90222773
10-(4-pyridin-3-yl-2-pyridinyl)furo[2,3-a]carbazole
CID 123311907
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
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-[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
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
14,18-diphenyl-3-(6-pyridin-3-yl-2-pyridinyl)-3,14,18-triazahexacyclo[11.10.0.02,10.04,9.015,23.017,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,19,21-decaene
CID 90267193
17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
CID 90223476
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
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-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 90223389
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

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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?
The IUPAC name of 5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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 90223295) is 5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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.
What is the SMILES notation for 5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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?
The canonical SMILES for 5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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 is c1ccc(-n2ccc3cc4ccc5c6ccccc6n(-c6cc(-c7cccnc7)ccn6)c5c4cc32)cc1.
What is the InChIKey of 5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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?
The InChIKey is HCEZAZCLAIPNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-2-8-27(9-3-1)37-18-15-25-19-24-12-13-29-28-10-4-5-11-31(28)38(34(29)30(24)21-32(25)37)33-20-23(14-17-36-33)26-7-6-16-35-22-26/h1-22H.
What are the key properties of 5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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?
5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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 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 5-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-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 is sourced from PubChem (CID 90223295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).