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

C34H22N4 — CID 90222773

IUPAC6-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
SMILESc1ccc(-n2ccc3c4c(ccc5c6ccccc6n(-c6cc(-c7cccnc7)ccn6)c54)ccc32)cc1
InChIInChI=1S/C34H22N4/c1-2-8-26(9-3-1)37-20-17-29-30(37)15-13-23-12-14-28-27-10-4-5-11-31(27)38(34(28)33(23)29)32-21-24(16-19-36-32)25-7-6-18-35-22-25/h1-22H
InChIKeyJLYOFNXWTDALGB-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.34
Rot. Bonds3

About 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

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 (PubChem CID 90222773) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID90222773
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name6-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
SMILESc1ccc(-n2ccc3c4c(ccc5c6ccccc6n(-c6cc(-c7cccnc7)ccn6)c54)ccc32)cc1
InChIInChI=1S/C34H22N4/c1-2-8-26(9-3-1)37-20-17-29-30(37)15-13-23-12-14-28-27-10-4-5-11-31(27)38(34(28)33(23)29)32-21-24(16-19-36-32)25-7-6-18-35-22-25/h1-22H
InChIKeyJLYOFNXWTDALGB-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 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 with MolForge

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Related Compounds

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
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
10-(4-pyridin-3-yl-2-pyridinyl)furo[2,3-a]carbazole
CID 123311907
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
20-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-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 90223272
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-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 90223334
7-phenyl-14-(4-pyridin-3-ylphenyl)-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 90223627
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
21-(4-pyridin-3-yl-2-pyridinyl)-2,9,21-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene
CID 90432594
7-phenyl-14-(2-pyridin-3-ylpyrimidin-5-yl)-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 90223583
6-(4-isoquinolin-4-ylphenyl)-20-phenyl-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 90223369
17-phenyl-3-(3-pyridin-4-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 90223481

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2ccc3c4c(ccc5c6ccccc6n(-c6cc(-c7cccnc7)ccn6)c54)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is JLYOFNXWTDALGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-2-8-26(9-3-1)37-20-17-29-30(37)15-13-23-12-14-28-27-10-4-5-11-31(27)38(34(28)33(23)29)32-21-24(16-19-36-32)25-7-6-18-35-22-25/h1-22H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 90222773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).