4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile

C118H71N11O — CID 162070652

IUPAC4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESN#Cc1ccc(N2c3ccccc3C3(c4ccccc4-c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)c3ccccc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1ccc(N2c3ccccc3C3(c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)ccc43)c3ccccc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C59H36N6.C59H35N5O/c60-37-40-31-32-41(35-46(40)58-62-56(38-17-3-1-4-18-38)61-57(63-58)39-19-5-2-6-20-39)65-54-29-15-11-25-50(54)59(51-26-12-16-30-55(51)65)48-24-10-7-21-43(48)47-36-42(33-34-49(47)59)64-52-27-13-8-22-44(52)45-23-9-14-28-53(45)64;60-36-41-27-30-42(35-45(41)58-62-56(37-15-3-1-4-16-37)61-57(63-58)38-17-5-2-6-18-38)64-52-24-12-10-22-50(52)59(51-23-11-13-25-53(51)64)48-21-9-7-19-43(48)46-33-39(28-31-49(46)59)40-29-32-55-47(34-40)44-20-8-14-26-54(44)65-55/h1-36H;1-35H
InChIKeyZBAMVBSICLEEAD-UHFFFAOYSA-N
MW1658.94 g/mol
LogP28.44
Rot. Bonds10

About 4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile

4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 162070652) has the molecular formula C118H71N11O and a molecular weight of 1658.94 g/mol. Its IUPAC name is 4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID162070652
Molecular FormulaC118H71N11O
Molecular Weight1658.94 g/mol
Exact Mass1657.58
IUPAC Name4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESN#Cc1ccc(N2c3ccccc3C3(c4ccccc4-c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)c3ccccc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1ccc(N2c3ccccc3C3(c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)ccc43)c3ccccc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C59H36N6.C59H35N5O/c60-37-40-31-32-41(35-46(40)58-62-56(38-17-3-1-4-18-38)61-57(63-58)39-19-5-2-6-20-39)65-54-29-15-11-25-50(54)59(51-26-12-16-30-55(51)65)48-24-10-7-21-43(48)47-36-42(33-34-49(47)59)64-52-27-13-8-22-44(52)45-23-9-14-28-53(45)64;60-36-41-27-30-42(35-45(41)58-62-56(37-15-3-1-4-16-37)61-57(63-58)38-17-5-2-6-18-38)64-52-24-12-10-22-50(52)59(51-23-11-13-25-53(51)64)48-21-9-7-19-43(48)46-33-39(28-31-49(46)59)40-29-32-55-47(34-40)44-20-8-14-26-54(44)65-55/h1-36H;1-35H
InChIKeyZBAMVBSICLEEAD-UHFFFAOYSA-N
XLogP28.44
TPSA149.47 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001658.94
LogP ≤ 528.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile with MolForge

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Related Compounds

5-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;5-[3',6'-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-10-yl]benzonitrile
CID 160740203
3-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;3-[3',6'-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-10-yl]benzonitrile
CID 162230152
2-(10'-dibenzofuran-2-ylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 154591314
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602337
9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]
CID 169014201
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602166
3-(3-dibenzofuran-2-ylphenyl)-9-(9,9-diphenylfluoren-3-yl)carbazole
CID 137466613
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
9-(6-carbazol-9-yl-9,9'-spirobi[fluorene]-3-yl)carbazole;9-(9,9'-spirobi[fluorene]-3-yl)carbazole;2-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran;2-(9,9'-spirobi[fluorene]-3-yl)dibenzothiophene
CID 158488160
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 138564841
2-dibenzofuran-2-yl-9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzofuran-2-yl-9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158529955
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918

Frequently Asked Questions

What is the IUPAC name of 4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (CID 162070652) is 4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is N#Cc1ccc(N2c3ccccc3C3(c4ccccc4-c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)c3ccccc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.N#Cc1ccc(N2c3ccccc3C3(c4ccccc4-c4cc(-n5c6ccccc6c6ccccc65)ccc43)c3ccccc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is ZBAMVBSICLEEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N6.C59H35N5O/c60-37-40-31-32-41(35-46(40)58-62-56(38-17-3-1-4-18-38)61-57(63-58)39-19-5-2-6-20-39)65-54-29-15-11-25-50(54)59(51-26-12-16-30-55(51)65)48-24-10-7-21-43(48)47-36-42(33-34-49(47)59)64-52-27-13-8-22-44(52)45-23-9-14-28-53(45)64;60-36-41-27-30-42(35-45(41)58-62-56(37-15-3-1-4-16-37)61-57(63-58)38-17-5-2-6-18-38)64-52-24-12-10-22-50(52)59(51-23-11-13-25-53(51)64)48-21-9-7-19-43(48)46-33-39(28-31-49(46)59)40-29-32-55-47(34-40)44-20-8-14-26-54(44)65-55/h1-36H;1-35H.
What are the key properties of 4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile has a molecular weight of 1658.94 g/mol, XLogP of 28.44, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3'-carbazol-9-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(3'-dibenzofuran-2-ylspiro[acridine-9,9'-fluorene]-10-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 162070652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).