14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene

C47H29N5 — CID 142477077

IUPAC14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c4c4cccc6c7ccccc7c5n64)n3)c2)cc1
InChIInChI=1S/C47H29N5/c1-4-15-30(16-5-1)33-27-34(31-17-6-2-7-18-31)29-35(28-33)46-48-45(32-19-8-3-9-20-32)49-47(50-46)52-40-24-13-12-23-38(40)42-43-37-22-11-10-21-36(37)39-25-14-26-41(44(42)52)51(39)43/h1-29H
InChIKeyPSLPYZCSCSFNIG-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.63
Rot. Bonds5

About 14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene

14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene (PubChem CID 142477077) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene
PubChem CID142477077
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c4c4cccc6c7ccccc7c5n64)n3)c2)cc1
InChIInChI=1S/C47H29N5/c1-4-15-30(16-5-1)33-27-34(31-17-6-2-7-18-31)29-35(28-33)46-48-45(32-19-8-3-9-20-32)49-47(50-46)52-40-24-13-12-23-38(40)42-43-37-22-11-10-21-36(37)39-25-14-26-41(44(42)52)51(39)43/h1-29H
InChIKeyPSLPYZCSCSFNIG-UHFFFAOYSA-N
XLogP11.63
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene with MolForge

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Related Compounds

10-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 171748647
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 170268493
9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 176880022
11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,11-diazaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-2(14),3,5,7,9,12,15,17,19(26),20,22,24-dodecaene
CID 168762836
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89296040
6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 176879945
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
9-[4-[3-carbazol-9-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 163436975
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene
CID 134437111
5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 129141708
9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 58943291
9-[4-carbazol-9-yl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742447

Frequently Asked Questions

What is the IUPAC name of 14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The IUPAC name of 14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene (CID 142477077) is 14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene.
What is the SMILES notation for 14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The canonical SMILES for 14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c4c4cccc6c7ccccc7c5n64)n3)c2)cc1.
What is the InChIKey of 14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The InChIKey is PSLPYZCSCSFNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-4-15-30(16-5-1)33-27-34(31-17-6-2-7-18-31)29-35(28-33)46-48-45(32-19-8-3-9-20-32)49-47(50-46)52-40-24-13-12-23-38(40)42-43-37-22-11-10-21-36(37)39-25-14-26-41(44(42)52)51(39)43/h1-29H.
What are the key properties of 14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene has a molecular weight of 663.78 g/mol, XLogP of 11.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-14,22-diazahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(21),2,4,6,8,10,12,15,17,19-decaene is sourced from PubChem (CID 142477077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).