10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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

C55H34N6 — CID 134552660

IUPAC10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5ccccc5cc5c6ccc7ccccc7c6n(-c6nc(-c7ccccc7)c7ccccc7n6)c45)c3)n2)cc1
InChIInChI=1S/C55H34N6/c1-4-18-36(19-5-1)49-45-29-14-15-30-47(45)56-55(57-49)61-50-43-28-13-10-17-35(43)31-32-44(50)46-34-39-24-11-12-27-42(39)48(51(46)61)40-25-16-26-41(33-40)54-59-52(37-20-6-2-7-21-37)58-53(60-54)38-22-8-3-9-23-38/h1-34H
InChIKeyYATVXXNHPHZBJU-UHFFFAOYSA-N
MW778.92 g/mol
LogP13.55
Rot. Bonds6

About 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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 (PubChem CID 134552660) has the molecular formula C55H34N6 and a molecular weight of 778.92 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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.

Molecular Properties

Compound Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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
PubChem CID134552660
Molecular FormulaC55H34N6
Molecular Weight778.92 g/mol
Exact Mass778.28
IUPAC Name10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5ccccc5cc5c6ccc7ccccc7c6n(-c6nc(-c7ccccc7)c7ccccc7n6)c45)c3)n2)cc1
InChIInChI=1S/C55H34N6/c1-4-18-36(19-5-1)49-45-29-14-15-30-47(45)56-55(57-49)61-50-43-28-13-10-17-35(43)31-32-44(50)46-34-39-24-11-12-27-42(39)48(51(46)61)40-25-16-26-41(33-40)54-59-52(37-20-6-2-7-21-37)58-53(60-54)38-22-8-3-9-23-38/h1-34H
InChIKeyYATVXXNHPHZBJU-UHFFFAOYSA-N
XLogP13.55
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.92
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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 with MolForge

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Related Compounds

14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 134552659
10-(9,9-dimethylfluoren-2-yl)-12-[4-(4-phenylphenyl)quinazolin-2-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 134552638
10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568833
10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142570112
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568640
14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 134552537
6-(4-carbazol-9-ylphenyl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 134552523
27-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,11.04,9.012,17.022,26]heptacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene;27-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.13,25.02,11.04,9.012,17.022,26]heptacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene;27-(4-phenylquinazolin-2-yl)-27-azaheptacyclo[16.7.1.13,25.02,11.04,9.012,17.022,26]heptacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 162090274
11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-naphtho[2,3-b][1]benzofuran-6-ylbenzo[a]carbazole
CID 142570633
3-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 163789043
14-[9-(4-phenylphenyl)carbazol-3-yl]-5-[9-(4-phenylphenyl)-7-[6-phenyl-2-[3-[4-[3-(6-phenylbenzo[b]carbazol-5-yl)carbazol-9-yl]phenyl]phenyl]benzo[b]carbazol-5-yl]carbazol-2-yl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
CID 134556019
14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165926

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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?
The IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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 134552660) is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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.
What is the SMILES notation for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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?
The canonical SMILES for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5ccccc5cc5c6ccc7ccccc7c6n(-c6nc(-c7ccccc7)c7ccccc7n6)c45)c3)n2)cc1.
What is the InChIKey of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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?
The InChIKey is YATVXXNHPHZBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N6/c1-4-18-36(19-5-1)49-45-29-14-15-30-47(45)56-55(57-49)61-50-43-28-13-10-17-35(43)31-32-44(50)46-34-39-24-11-12-27-42(39)48(51(46)61)40-25-16-26-41(33-40)54-59-52(37-20-6-2-7-21-37)58-53(60-54)38-22-8-3-9-23-38/h1-34H.
What are the key properties of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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?
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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 has a molecular weight of 778.92 g/mol, XLogP of 13.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-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 is sourced from PubChem (CID 134552660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).