14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C50H31N5O — CID 146226703

IUPAC14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7c8c(ccc76)oc6ccccc68)c5)c4c3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H31N5O/c1-3-14-32(15-4-1)49-51-50(55(52-49)34-16-5-2-6-17-34)33-26-27-38-37-20-7-10-23-41(37)54(44(38)30-33)36-19-13-18-35(31-36)53-42-24-11-8-21-39(42)47-43(53)28-29-46-48(47)40-22-9-12-25-45(40)56-46/h1-31H
InChIKeyCVOXWNQPZVXDFW-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.69
Rot. Bonds5

About 14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 146226703) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID146226703
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7c8c(ccc76)oc6ccccc68)c5)c4c3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H31N5O/c1-3-14-32(15-4-1)49-51-50(55(52-49)34-16-5-2-6-17-34)33-26-27-38-37-20-7-10-23-41(37)54(44(38)30-33)36-19-13-18-35(31-36)53-42-24-11-8-21-39(42)47-43(53)28-29-46-48(47)40-22-9-12-25-45(40)56-46/h1-31H
InChIKeyCVOXWNQPZVXDFW-UHFFFAOYSA-N
XLogP12.69
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

17-carbazol-9-yl-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 155006812
14-[2-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 146226966
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 147983982
9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole
CID 121241285
7-[3-[3-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 146227252
11-[3-[2-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 146226861
14-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 146226979
12-[3-[2-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146226741
14-[3-[3-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 146226869
14-[3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 67952738
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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-nonaene
CID 169015013
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155006702

Frequently Asked Questions

What is the IUPAC name of 14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 146226703) is 14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7c8c(ccc76)oc6ccccc68)c5)c4c3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is CVOXWNQPZVXDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-3-14-32(15-4-1)49-51-50(55(52-49)34-16-5-2-6-17-34)33-26-27-38-37-20-7-10-23-41(37)54(44(38)30-33)36-19-13-18-35(31-36)53-42-24-11-8-21-39(42)47-43(53)28-29-46-48(47)40-22-9-12-25-45(40)56-46/h1-31H.
What are the key properties of 14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 717.83 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-[2-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 146226703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).