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

C33H21N5 — CID 90223583

IUPAC7-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
SMILESc1ccc(-n2ccc3c4cc5c6ccccc6n(-c6cnc(-c7cccnc7)nc6)c5cc4ccc32)cc1
InChIInChI=1S/C33H21N5/c1-2-8-24(9-3-1)37-16-14-27-28-18-29-26-10-4-5-11-31(26)38(32(29)17-22(28)12-13-30(27)37)25-20-35-33(36-21-25)23-7-6-15-34-19-23/h1-21H
InChIKeyPCWVPHYESVTHRE-UHFFFAOYSA-N
MW487.57 g/mol
LogP7.73
Rot. Bonds3

About 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

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 (PubChem CID 90223583) has the molecular formula C33H21N5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID90223583
Molecular FormulaC33H21N5
Molecular Weight487.57 g/mol
Exact Mass487.18
IUPAC Name7-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
SMILESc1ccc(-n2ccc3c4cc5c6ccccc6n(-c6cnc(-c7cccnc7)nc6)c5cc4ccc32)cc1
InChIInChI=1S/C33H21N5/c1-2-8-24(9-3-1)37-16-14-27-28-18-29-26-10-4-5-11-31(26)38(32(29)17-22(28)12-13-30(27)37)25-20-35-33(36-21-25)23-7-6-15-34-19-23/h1-21H
InChIKeyPCWVPHYESVTHRE-UHFFFAOYSA-N
XLogP7.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.57
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

7-phenyl-14-(2-phenylpyrimidin-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 90223580
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
6-phenyl-1-(2-pyridin-3-ylpyrimidin-5-yl)pyrrolo[3,2-c]carbazole
CID 123895794
9-(2-pyridin-3-ylpyrimidin-5-yl)furo[2,3-b]carbazole
CID 123890450
3-phenyl-9-(2-phenylpyrimidin-5-yl)pyrrolo[3,2-b]carbazole;3-phenyl-9-(4-pyridin-2-ylphenyl)pyrrolo[3,2-b]carbazole;3-phenyl-9-(6-pyridin-3-yl-2-pyridinyl)pyrrolo[3,2-b]carbazole;3-phenyl-9-(2-pyridin-3-ylpyrimidin-4-yl)pyrrolo[3,2-b]carbazole
CID 159630059
17,18,19,20-tetradeuterio-10-phenyl-15-pyridin-3-yl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310248
6-phenyl-3-(2-phenylpyrimidin-5-yl)pyrrolo[2,3-c]carbazole
CID 123906057
N,N-diphenyl-4-(7-phenyl-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaen-14-yl)aniline
CID 90223257
7-(3,5-diphenylphenyl)-20-phenyl-7,20-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14,16,18-nonaene
CID 90223013
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
7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-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 90223421

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2ccc3c4cc5c6ccccc6n(-c6cnc(-c7cccnc7)nc6)c5cc4ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is PCWVPHYESVTHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5/c1-2-8-24(9-3-1)37-16-14-27-28-18-29-26-10-4-5-11-31(26)38(32(29)17-22(28)12-13-30(27)37)25-20-35-33(36-21-25)23-7-6-15-34-19-23/h1-21H.
What are the key properties of 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?
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 has a molecular weight of 487.57 g/mol, XLogP of 7.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90223583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).