12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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

C69H42N4 — CID 155450646

IUPAC12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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
SMILESc1ccc(-c2ccc3c(-n4c5cc6ccccc6cc5c5c6ccccc6ccc54)c(-c4cccc5ccccc45)cc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)c3c2)cc1
InChIInChI=1S/C69H42N4/c1-2-17-43(18-3-1)50-35-37-56-59(39-50)61(69-71-67(57-33-15-26-45-20-7-11-29-52(45)57)70-68(72-69)58-34-16-27-46-21-8-12-30-53(46)58)42-60(55-32-14-25-44-19-6-10-28-51(44)55)66(56)73-63-38-36-47-22-9-13-31-54(47)65(63)62-40-48-23-4-5-24-49(48)41-64(62)73/h1-42H
InChIKeyFQCAJTQHAYVAIM-UHFFFAOYSA-N
MW927.12 g/mol
LogP18.22
Rot. Bonds6

About 12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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

12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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 (PubChem CID 155450646) has the molecular formula C69H42N4 and a molecular weight of 927.12 g/mol. Its IUPAC name is 12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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.

Molecular Properties

Compound Name12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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
PubChem CID155450646
Molecular FormulaC69H42N4
Molecular Weight927.12 g/mol
Exact Mass926.34
IUPAC Name12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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
SMILESc1ccc(-c2ccc3c(-n4c5cc6ccccc6cc5c5c6ccccc6ccc54)c(-c4cccc5ccccc45)cc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)c3c2)cc1
InChIInChI=1S/C69H42N4/c1-2-17-43(18-3-1)50-35-37-56-59(39-50)61(69-71-67(57-33-15-26-45-20-7-11-29-52(45)57)70-68(72-69)58-34-16-27-46-21-8-12-30-53(46)58)42-60(55-32-14-25-44-19-6-10-28-51(44)55)66(56)73-63-38-36-47-22-9-13-31-54(47)65(63)62-40-48-23-4-5-24-49(48)41-64(62)73/h1-42H
InChIKeyFQCAJTQHAYVAIM-UHFFFAOYSA-N
XLogP18.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.12
LogP ≤ 518.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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 with MolForge

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Related Compounds

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylnaphthalen-1-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 155450925
16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-20-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(22),18,20,23-undecaene
CID 138654043
12-[2-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-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 167031823
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
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-[3-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-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 166916053
1-(12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-12-yl)-4-[4-naphthalen-2-yl-6-(4-phenylphenyl)quinazolin-2-yl]naphthalene-2-carbonitrile
CID 139362029
12-[4-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-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 166915621
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-[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
10-phenyl-7-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[c]carbazole
CID 167031903
12-[11-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-6-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 167347920

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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?
The IUPAC name of 12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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 155450646) is 12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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.
What is the SMILES notation for 12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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?
The canonical SMILES for 12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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 is c1ccc(-c2ccc3c(-n4c5cc6ccccc6cc5c5c6ccccc6ccc54)c(-c4cccc5ccccc45)cc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)c3c2)cc1.
What is the InChIKey of 12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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?
The InChIKey is FQCAJTQHAYVAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N4/c1-2-17-43(18-3-1)50-35-37-56-59(39-50)61(69-71-67(57-33-15-26-45-20-7-11-29-52(45)57)70-68(72-69)58-34-16-27-46-21-8-12-30-53(46)58)42-60(55-32-14-25-44-19-6-10-28-51(44)55)66(56)73-63-38-36-47-22-9-13-31-54(47)65(63)62-40-48-23-4-5-24-49(48)41-64(62)73/h1-42H.
What are the key properties of 12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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?
12-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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 has a molecular weight of 927.12 g/mol, XLogP of 18.22, 6 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-1-yl-1,3,5-triazin-2-yl)-2-naphthalen-1-yl-6-phenylnaphthalen-1-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 is sourced from PubChem (CID 155450646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).