14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C65H48N6 — CID 146213528

IUPAC14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2N(c2ccc3cc4cc(N5c6ccccc6C(C)(C)c6cc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7cc65)ccc4cc3c2)c2ccccc21
InChIInChI=1S/C65H48N6/c1-64(2)51-24-12-16-28-56(51)69(57-29-17-13-25-52(57)64)47-33-31-43-36-46-38-48(34-32-44(46)35-45(43)37-47)70-58-30-18-14-26-53(58)65(3,4)54-39-50-49-23-11-15-27-55(49)71(59(50)40-60(54)70)63-67-61(41-19-7-5-8-20-41)66-62(68-63)42-21-9-6-10-22-42/h5-40H,1-4H3
InChIKeyRSEXSTMMBCGCHJ-UHFFFAOYSA-N
MW913.14 g/mol
LogP16.83
Rot. Bonds5

About 14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 146213528) has the molecular formula C65H48N6 and a molecular weight of 913.14 g/mol. Its IUPAC name is 14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID146213528
Molecular FormulaC65H48N6
Molecular Weight913.14 g/mol
Exact Mass912.39
IUPAC Name14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2N(c2ccc3cc4cc(N5c6ccccc6C(C)(C)c6cc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7cc65)ccc4cc3c2)c2ccccc21
InChIInChI=1S/C65H48N6/c1-64(2)51-24-12-16-28-56(51)69(57-29-17-13-25-52(57)64)47-33-31-43-36-46-38-48(34-32-44(46)35-45(43)37-47)70-58-30-18-14-26-53(58)65(3,4)54-39-50-49-23-11-15-27-55(49)71(59(50)40-60(54)70)63-67-61(41-19-7-5-8-20-41)66-62(68-63)42-21-9-6-10-22-42/h5-40H,1-4H3
InChIKeyRSEXSTMMBCGCHJ-UHFFFAOYSA-N
XLogP16.83
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.14
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Related Compounds

14-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66805066
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-21-naphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66804825
10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
CID 168836599
5-(21,21-dimethyl-14-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-1,3-dicarbonitrile
CID 147984764
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14,21-triphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66804869
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
CID 66804868
9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 134431940
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 162146233
10-[3-[4-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 170682872
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 148941843

Frequently Asked Questions

What is the IUPAC name of 14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 146213528) is 14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CC1(C)c2ccccc2N(c2ccc3cc4cc(N5c6ccccc6C(C)(C)c6cc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7cc65)ccc4cc3c2)c2ccccc21.
What is the InChIKey of 14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is RSEXSTMMBCGCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N6/c1-64(2)51-24-12-16-28-56(51)69(57-29-17-13-25-52(57)64)47-33-31-43-36-46-38-48(34-32-44(46)35-45(43)37-47)70-58-30-18-14-26-53(58)65(3,4)54-39-50-49-23-11-15-27-55(49)71(59(50)40-60(54)70)63-67-61(41-19-7-5-8-20-41)66-62(68-63)42-21-9-6-10-22-42/h5-40H,1-4H3.
What are the key properties of 14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 913.14 g/mol, XLogP of 16.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[6-(9,9-dimethylacridin-10-yl)anthracen-2-yl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21,21-dimethyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 146213528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).