5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole

C32H20N4O — CID 118300873

IUPAC5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole
SMILESc1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cnc(-c6ccccn6)o5)c4ccc32)cc1
InChIInChI=1S/C32H20N4O/c1-2-10-21(11-3-1)35-25-15-6-4-12-22(25)30-27(35)17-18-28-31(30)23-13-5-7-16-26(23)36(28)29-20-34-32(37-29)24-14-8-9-19-33-24/h1-20H
InChIKeyKKSHTBNTXZVQDN-UHFFFAOYSA-N
MW476.54 g/mol
LogP7.93
Rot. Bonds3

About 5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole

5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole (PubChem CID 118300873) has the molecular formula C32H20N4O and a molecular weight of 476.54 g/mol. Its IUPAC name is 5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole
PubChem CID118300873
Molecular FormulaC32H20N4O
Molecular Weight476.54 g/mol
Exact Mass476.16
IUPAC Name5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole
SMILESc1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cnc(-c6ccccn6)o5)c4ccc32)cc1
InChIInChI=1S/C32H20N4O/c1-2-10-21(11-3-1)35-25-15-6-4-12-22(25)30-27(35)17-18-28-31(30)23-13-5-7-16-26(23)36(28)29-20-34-32(37-29)24-14-8-9-19-33-24/h1-20H
InChIKeyKKSHTBNTXZVQDN-UHFFFAOYSA-N
XLogP7.93
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole with MolForge

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Related Compounds

2-phenyl-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-oxazole;2-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3-oxazole;2-phenyl-5-(7-phenylindolo[2,3-b]carbazol-5-yl)-1,3-oxazole
CID 159713335
9-phenyl-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038408
5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole
CID 140730755
9-phenyl-14-pyrimidin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038360
9,14-bis(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504672
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-phenyl-14-(8-pyridin-2-yl-9H-fluoren-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134488194
1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole
CID 101437629
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
5-(2,6-dipyridin-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 145009858
9-phenyl-14-[10-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)anthracen-9-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170394033
5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole
CID 130417472

Frequently Asked Questions

What is the IUPAC name of 5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole?
The IUPAC name of 5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole (CID 118300873) is 5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole.
What is the SMILES notation for 5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole?
The canonical SMILES for 5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole is c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cnc(-c6ccccn6)o5)c4ccc32)cc1.
What is the InChIKey of 5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole?
The InChIKey is KKSHTBNTXZVQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N4O/c1-2-10-21(11-3-1)35-25-15-6-4-12-22(25)30-27(35)17-18-28-31(30)23-13-5-7-16-26(23)36(28)29-20-34-32(37-29)24-14-8-9-19-33-24/h1-20H.
What are the key properties of 5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole?
5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole has a molecular weight of 476.54 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-pyridin-2-yl-1,3-oxazole is sourced from PubChem (CID 118300873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).