12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene

C50H30N4O2 — CID 163864033

IUPAC12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5c6oc7ccccc7c6nc6c5oc5ccccc56)cc4)cc3-c3ccccc3)n2)cc1
InChIInChI=1S/C50H30N4O2/c1-4-14-32(15-5-1)40-30-36(28-29-37(40)50-53-48(34-16-6-2-7-17-34)52-49(54-50)35-18-8-3-9-19-35)31-24-26-33(27-25-31)43-46-44(38-20-10-12-22-41(38)55-46)51-45-39-21-11-13-23-42(39)56-47(43)45/h1-30H
InChIKeyCLSOKFNABICNGW-UHFFFAOYSA-N
MW718.82 g/mol
LogP13.07
Rot. Bonds6

About 12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene

12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene (PubChem CID 163864033) has the molecular formula C50H30N4O2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene.

Molecular Properties

Compound Name12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
PubChem CID163864033
Molecular FormulaC50H30N4O2
Molecular Weight718.82 g/mol
Exact Mass718.24
IUPAC Name12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5c6oc7ccccc7c6nc6c5oc5ccccc56)cc4)cc3-c3ccccc3)n2)cc1
InChIInChI=1S/C50H30N4O2/c1-4-14-32(15-5-1)40-30-36(28-29-37(40)50-53-48(34-16-6-2-7-17-34)52-49(54-50)35-18-8-3-9-19-35)31-24-26-33(27-25-31)43-46-44(38-20-10-12-22-41(38)55-46)51-45-39-21-11-13-23-42(39)56-47(43)45/h1-30H
InChIKeyCLSOKFNABICNGW-UHFFFAOYSA-N
XLogP13.07
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.82
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene with MolForge

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Related Compounds

2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348928
2-dibenzofuran-1-yl-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177112627
2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808431
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-[2-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[2-(10-phenylanthracen-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 158189560
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(4-phenylphenyl)-4-[6-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]-1,3,5-triazine
CID 139441712
2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808464
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442227
4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978316
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The IUPAC name of 12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene (CID 163864033) is 12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene.
What is the SMILES notation for 12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The canonical SMILES for 12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5c6oc7ccccc7c6nc6c5oc5ccccc56)cc4)cc3-c3ccccc3)n2)cc1.
What is the InChIKey of 12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
The InChIKey is CLSOKFNABICNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2/c1-4-14-32(15-5-1)40-30-36(28-29-37(40)50-53-48(34-16-6-2-7-17-34)52-49(54-50)35-18-8-3-9-19-35)31-24-26-33(27-25-31)43-46-44(38-20-10-12-22-41(38)55-46)51-45-39-21-11-13-23-42(39)56-47(43)45/h1-30H.
What are the key properties of 12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene?
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene has a molecular weight of 718.82 g/mol, XLogP of 13.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]phenyl]-10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene is sourced from PubChem (CID 163864033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).