14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene

C49H30N4O — CID 155335832

IUPAC14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
SMILESc1ccc(-c2ccc3c(c2)oc2ccc4c(c23)c2c3ccccc3c(-c3ccccc3)cc2n4-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C49H30N4O/c1-5-15-31(16-6-1)35-25-26-38-43(29-35)54-42-28-27-40-46(45(38)42)44-37-24-14-13-23-36(37)39(32-17-7-2-8-18-32)30-41(44)53(40)49-51-47(33-19-9-3-10-20-33)50-48(52-49)34-21-11-4-12-22-34/h1-30H
InChIKeyJZLGQNCQXRFHPV-UHFFFAOYSA-N
MW690.81 g/mol
LogP12.69
Rot. Bonds5

About 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene (PubChem CID 155335832) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene.

Molecular Properties

Compound Name14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
PubChem CID155335832
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
SMILESc1ccc(-c2ccc3c(c2)oc2ccc4c(c23)c2c3ccccc3c(-c3ccccc3)cc2n4-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C49H30N4O/c1-5-15-31(16-6-1)35-25-26-38-43(29-35)54-42-28-27-40-46(45(38)42)44-37-24-14-13-23-36(37)39(32-17-7-2-8-18-32)30-41(44)53(40)49-51-47(33-19-9-3-10-20-33)50-48(52-49)34-21-11-4-12-22-34/h1-30H
InChIKeyJZLGQNCQXRFHPV-UHFFFAOYSA-N
XLogP12.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene with MolForge

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Related Compounds

14-[4-(9-phenyldibenzofuran-3-yl)-6-(2-phenylphenyl)-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 164932831
21-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155335290
9-[4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;4-phenyl-9-[4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 161421501
6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-14-phenyl-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 147508899
3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167293093
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 166916763
10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 135166078
4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 166952410
2-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167292938
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
1-(1,7-diphenyldibenzofuran-3-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309658

Frequently Asked Questions

What is the IUPAC name of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene?
The IUPAC name of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene (CID 155335832) is 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene.
What is the SMILES notation for 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene?
The canonical SMILES for 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene is c1ccc(-c2ccc3c(c2)oc2ccc4c(c23)c2c3ccccc3c(-c3ccccc3)cc2n4-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene?
The InChIKey is JZLGQNCQXRFHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-5-15-31(16-6-1)35-25-26-38-43(29-35)54-42-28-27-40-46(45(38)42)44-37-24-14-13-23-36(37)39(32-17-7-2-8-18-32)30-41(44)53(40)49-51-47(33-19-9-3-10-20-33)50-48(52-49)34-21-11-4-12-22-34/h1-30H.
What are the key properties of 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene?
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene has a molecular weight of 690.81 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 155335832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).