12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

C59H36N4 — CID 155451060

IUPAC12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESc1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c3ccccc3c2-n2c3cc4ccccc4cc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C59H36N4/c1-2-16-39(17-3-1)50-36-53(59-61-57(46-28-26-37-14-4-6-18-40(37)30-46)60-58(62-59)47-29-27-38-15-5-7-19-41(38)31-47)48-24-12-13-25-49(48)56(50)63-54-34-44-22-10-8-20-42(44)32-51(54)52-33-43-21-9-11-23-45(43)35-55(52)63/h1-36H
InChIKeyFGBMKXASAZVEBG-UHFFFAOYSA-N
MW800.97 g/mol
LogP15.40
Rot. Bonds5

About 12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (PubChem CID 155451060) has the molecular formula C59H36N4 and a molecular weight of 800.97 g/mol. Its IUPAC name is 12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.

Molecular Properties

Compound Name12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
PubChem CID155451060
Molecular FormulaC59H36N4
Molecular Weight800.97 g/mol
Exact Mass800.29
IUPAC Name12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
SMILESc1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c3ccccc3c2-n2c3cc4ccccc4cc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C59H36N4/c1-2-16-39(17-3-1)50-36-53(59-61-57(46-28-26-37-14-4-6-18-40(37)30-46)60-58(62-59)47-29-27-38-15-5-7-19-41(38)31-47)48-24-12-13-25-49(48)56(50)63-54-34-44-22-10-8-20-42(44)32-51(54)52-33-43-21-9-11-23-45(43)35-55(52)63/h1-36H
InChIKeyFGBMKXASAZVEBG-UHFFFAOYSA-N
XLogP15.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.97
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene with MolForge

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Related Compounds

5-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 155451004
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155450281
5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 155450072
12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155450205
12-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155450526
12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155450888
5-[4-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]benzo[b]carbazole
CID 155450731
12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155450369
12-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
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5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621118
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-6-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155450379
12-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166917528

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The IUPAC name of 12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (CID 155451060) is 12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.
What is the SMILES notation for 12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The canonical SMILES for 12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is c1ccc(-c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)n3)c3ccccc3c2-n2c3cc4ccccc4cc3c3cc4ccccc4cc32)cc1.
What is the InChIKey of 12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
The InChIKey is FGBMKXASAZVEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4/c1-2-16-39(17-3-1)50-36-53(59-61-57(46-28-26-37-14-4-6-18-40(37)30-46)60-58(62-59)47-29-27-38-15-5-7-19-41(38)31-47)48-24-12-13-25-49(48)56(50)63-54-34-44-22-10-8-20-42(44)32-51(54)52-33-43-21-9-11-23-45(43)35-55(52)63/h1-36H.
What are the key properties of 12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?
12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene has a molecular weight of 800.97 g/mol, XLogP of 15.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is sourced from PubChem (CID 155451060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).