4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile

C70H68N6 — CID 162208008

IUPAC4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile
SMILESCc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1N2c1cc(C#N)ccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1N1c2c(C)c(C)c(C)c(C)c2Cc2c(C)c(C)c(C)c(C)c21
InChIInChI=1S/C70H68N6/c1-36-40(5)48(13)64-58(44(36)9)33-59-45(10)37(2)41(6)49(14)65(59)75(64)62-31-52(35-71)27-29-56(62)57-30-28-55(70-73-68(53-23-19-17-20-24-53)72-69(74-70)54-25-21-18-22-26-54)32-63(57)76-66-50(15)42(7)38(3)46(11)60(66)34-61-47(12)39(4)43(8)51(16)67(61)76/h17-32H,33-34H2,1-16H3
InChIKeyORVVDLUOCXQNSQ-UHFFFAOYSA-N
MW993.36 g/mol
LogP18.09
Rot. Bonds6

About 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile (PubChem CID 162208008) has the molecular formula C70H68N6 and a molecular weight of 993.36 g/mol. Its IUPAC name is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile.

Molecular Properties

Compound Name4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile
PubChem CID162208008
Molecular FormulaC70H68N6
Molecular Weight993.36 g/mol
Exact Mass992.55
IUPAC Name4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile
SMILESCc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1N2c1cc(C#N)ccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1N1c2c(C)c(C)c(C)c(C)c2Cc2c(C)c(C)c(C)c(C)c21
InChIInChI=1S/C70H68N6/c1-36-40(5)48(13)64-58(44(36)9)33-59-45(10)37(2)41(6)49(14)65(59)75(64)62-31-52(35-71)27-29-56(62)57-30-28-55(70-73-68(53-23-19-17-20-24-53)72-69(74-70)54-25-21-18-22-26-54)32-63(57)76-66-50(15)42(7)38(3)46(11)60(66)34-61-47(12)39(4)43(8)51(16)67(61)76/h17-32H,33-34H2,1-16H3
InChIKeyORVVDLUOCXQNSQ-UHFFFAOYSA-N
XLogP18.09
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.36
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile with MolForge

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Related Compounds

3-[3-methyl-2,4-bis(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]benzonitrile
CID 158780113
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]benzonitrile
CID 154603008
3-(3-carbazol-9-ylcarbazol-9-yl)-4-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 142533865
4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003347
4-(3,6-diphenylcarbazol-9-yl)-3-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003386
3-[3-(3-cyanophenyl)carbazol-9-yl]-4-[2-[3-(3-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003306
9-[2-[3-cyano-2-(3,6-dicyanocarbazol-9-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 169059999
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-methylphenyl]benzonitrile
CID 157473750
5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyanophenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155003315
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 155003380
dipotassium;2,4-bis[2-fluoro-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine;3-[4-(5-cyano-2-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorobenzonitrile;3-[4-[5-cyano-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile;bis(1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine);1,2,3,4,5,6,7,8-octamethyl-10-[2-[4-[2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-9H-acridine;bis(oxido-oxidooxy-oxophosphanium);potassiopotassium
CID 159986059
potassium;10-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethyl-9H-acridine;2-[3-(2,6-diphenylpyrimidin-4-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine;1,2,3,4,5,6,7,8-octamethyl-9,10-dihydroacridine;oxido-oxidooxy-oxophosphanium;potassiopotassium
CID 159309147

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile?
The IUPAC name of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile (CID 162208008) is 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile.
What is the SMILES notation for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile?
The canonical SMILES for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile is Cc1c(C)c(C)c2c(c1C)Cc1c(C)c(C)c(C)c(C)c1N2c1cc(C#N)ccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1N1c2c(C)c(C)c(C)c(C)c2Cc2c(C)c(C)c(C)c(C)c21.
What is the InChIKey of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile?
The InChIKey is ORVVDLUOCXQNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H68N6/c1-36-40(5)48(13)64-58(44(36)9)33-59-45(10)37(2)41(6)49(14)65(59)75(64)62-31-52(35-71)27-29-56(62)57-30-28-55(70-73-68(53-23-19-17-20-24-53)72-69(74-70)54-25-21-18-22-26-54)32-63(57)76-66-50(15)42(7)38(3)46(11)60(66)34-61-47(12)39(4)43(8)51(16)67(61)76/h17-32H,33-34H2,1-16H3.
What are the key properties of 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile?
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile has a molecular weight of 993.36 g/mol, XLogP of 18.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)phenyl]-3-(1,2,3,4,5,6,7,8-octamethyl-9H-acridin-10-yl)benzonitrile is sourced from PubChem (CID 162208008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).