23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene

C48H41N5 — CID 126598372

IUPAC23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene
SMILESCC1(C)c2cc3c4ccc5c6ccccc6n(-c6ccccc6)c5c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc2C(C)(C)C1(C)C
InChIInChI=1S/C48H41N5/c1-46(2)37-28-36-35-27-26-34-33-24-16-17-25-39(33)52(32-22-14-9-15-23-32)41(34)42(35)53(40(36)29-38(37)47(3,4)48(46,5)6)45-50-43(30-18-10-7-11-19-30)49-44(51-45)31-20-12-8-13-21-31/h7-29H,1-6H3
InChIKeyCVPCEYGMHGGHSE-UHFFFAOYSA-N
MW687.89 g/mol
LogP11.99
Rot. Bonds4

About 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene

23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene (PubChem CID 126598372) has the molecular formula C48H41N5 and a molecular weight of 687.89 g/mol. Its IUPAC name is 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene.

Molecular Properties

Compound Name23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene
PubChem CID126598372
Molecular FormulaC48H41N5
Molecular Weight687.89 g/mol
Exact Mass687.34
IUPAC Name23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene
SMILESCC1(C)c2cc3c4ccc5c6ccccc6n(-c6ccccc6)c5c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc2C(C)(C)C1(C)C
InChIInChI=1S/C48H41N5/c1-46(2)37-28-36-35-27-26-34-33-24-16-17-25-39(33)52(32-22-14-9-15-23-32)41(34)42(35)53(40(36)29-38(37)47(3,4)48(46,5)6)45-50-43(30-18-10-7-11-19-30)49-44(51-45)31-20-12-8-13-21-31/h7-29H,1-6H3
InChIKeyCVPCEYGMHGGHSE-UHFFFAOYSA-N
XLogP11.99
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.89
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene with MolForge

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Related Compounds

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7,8,8,9,9,20,20,21,21,22,22-dodecamethyl-26-phenyl-3,26-diazaheptacyclo[14.10.0.02,13.04,12.06,10.017,25.019,23]hexacosa-1(16),2(13),4,6(10),11,14,17,19(23),24-nonaene
CID 126598379
23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene
CID 126598687
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene
CID 126598951
11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167268585
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122523984
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
3-[4-(4-fluorophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17,17,20,20-tetramethyl-24-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
CID 177086962
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 167268031
24-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
CID 177087020
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole;5-phenyl-11-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 163926975

Frequently Asked Questions

What is the IUPAC name of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene?
The IUPAC name of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene (CID 126598372) is 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene.
What is the SMILES notation for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene?
The canonical SMILES for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene is CC1(C)c2cc3c4ccc5c6ccccc6n(-c6ccccc6)c5c4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc2C(C)(C)C1(C)C.
What is the InChIKey of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene?
The InChIKey is CVPCEYGMHGGHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N5/c1-46(2)37-28-36-35-27-26-34-33-24-16-17-25-39(33)52(32-22-14-9-15-23-32)41(34)42(35)53(40(36)29-38(37)47(3,4)48(46,5)6)45-50-43(30-18-10-7-11-19-30)49-44(51-45)31-20-12-8-13-21-31/h7-29H,1-6H3.
What are the key properties of 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene?
23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene has a molecular weight of 687.89 g/mol, XLogP of 11.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene is sourced from PubChem (CID 126598372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).