16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C61H37N5 — CID 138654293

IUPAC16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)c2ccccc2n4-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c3ccccc3c2)cc1
InChIInChI=1S/C61H37N5/c1-2-20-46(21-3-1)65-55-31-30-40-16-8-11-23-49(40)58(55)53-36-51-50-24-12-13-25-54(50)66(56(51)37-57(53)65)47-34-43-19-9-10-22-48(43)52(35-47)61-63-59(44-28-26-38-14-4-6-17-41(38)32-44)62-60(64-61)45-29-27-39-15-5-7-18-42(39)33-45/h1-37H
InChIKeySBVHXNUPBZJTIU-UHFFFAOYSA-N
MW840.00 g/mol
LogP15.68
Rot. Bonds5

About 16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 138654293) has the molecular formula C61H37N5 and a molecular weight of 840.00 g/mol. Its IUPAC name is 16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

Compound Name16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
PubChem CID138654293
Molecular FormulaC61H37N5
Molecular Weight840.00 g/mol
Exact Mass839.30
IUPAC Name16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
SMILESc1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)c2ccccc2n4-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c3ccccc3c2)cc1
InChIInChI=1S/C61H37N5/c1-2-20-46(21-3-1)65-55-31-30-40-16-8-11-23-49(40)58(55)53-36-51-50-24-12-13-25-54(50)66(56(51)37-57(53)65)47-34-43-19-9-10-22-48(43)52(35-47)61-63-59(44-28-26-38-14-4-6-17-41(38)32-44)62-60(64-61)45-29-27-39-15-5-7-18-42(39)33-45/h1-37H
InChIKeySBVHXNUPBZJTIU-UHFFFAOYSA-N
XLogP15.68
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.00
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene with MolForge

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Related Compounds

16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654261
16-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 138654369
9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 156531272
22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[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;24-naphthalen-2-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,24-diazahexacyclo[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;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[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 160926980
16-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654506
16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-yl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 161164703
16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 159700434
22-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-24-phenyl-9,24-diazahexacyclo[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;22-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 158569243
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-yl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654458
8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 155477392
16-[5-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-yl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-yl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 159878945
16-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 138654339

Frequently Asked Questions

What is the IUPAC name of 16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The IUPAC name of 16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 138654293) is 16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.
What is the SMILES notation for 16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The canonical SMILES for 16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)c2ccccc2n4-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c3ccccc3c2)cc1.
What is the InChIKey of 16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
The InChIKey is SBVHXNUPBZJTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N5/c1-2-20-46(21-3-1)65-55-31-30-40-16-8-11-23-49(40)58(55)53-36-51-50-24-12-13-25-54(50)66(56(51)37-57(53)65)47-34-43-19-9-10-22-48(43)52(35-47)61-63-59(44-28-26-38-14-4-6-17-41(38)32-44)62-60(64-61)45-29-27-39-15-5-7-18-42(39)33-45/h1-37H.
What are the key properties of 16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?
16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 840.00 g/mol, XLogP of 15.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 138654293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).