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

C50H31N5O — CID 146226979

IUPAC14-[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
SMILESc1ccc(-c2nc(-c3ccccc3)n(-c3cccc4c3c3ccccc3n4-c3ccccc3-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)n2)cc1
InChIInChI=1S/C50H31N5O/c1-3-16-32(17-4-1)49-51-50(33-18-5-2-6-19-33)55(52-49)43-28-15-27-41-46(43)34-20-7-10-23-37(34)53(41)39-25-12-13-26-40(39)54-38-24-11-8-21-35(38)47-42(54)30-31-45-48(47)36-22-9-14-29-44(36)56-45/h1-31H
InChIKeyNKQODUSIODZYHR-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.69
Rot. Bonds5

About 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

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 (PubChem CID 146226979) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-[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
PubChem CID146226979
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name14-[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
SMILESc1ccc(-c2nc(-c3ccccc3)n(-c3cccc4c3c3ccccc3n4-c3ccccc3-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)n2)cc1
InChIInChI=1S/C50H31N5O/c1-3-16-32(17-4-1)49-51-50(33-18-5-2-6-19-33)55(52-49)43-28-15-27-41-46(43)34-20-7-10-23-37(34)53(41)39-25-12-13-26-40(39)54-38-24-11-8-21-35(38)47-42(54)30-31-45-48(47)36-22-9-14-29-44(36)56-45/h1-31H
InChIKeyNKQODUSIODZYHR-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-[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 with MolForge

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Related Compounds

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-[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
14-[2-[4-(4,5-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 146226786
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
14-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-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 130334250
14-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]-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 176837396
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-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-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 176837448
4-carbazol-9-yl-9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 142537341
2-(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)-4-[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]benzonitrile
CID 129300226
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(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)dibenzofuran-3-carbonitrile
CID 155159717
9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 146816621

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)n(-c3cccc4c3c3ccccc3n4-c3ccccc3-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)n2)cc1.
What is the InChIKey of 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?
The InChIKey is NKQODUSIODZYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-3-16-32(17-4-1)49-51-50(33-18-5-2-6-19-33)55(52-49)43-28-15-27-41-46(43)34-20-7-10-23-37(34)53(41)39-25-12-13-26-40(39)54-38-24-11-8-21-35(38)47-42(54)30-31-45-48(47)36-22-9-14-29-44(36)56-45/h1-31H.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 146226979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).