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

C65H37N5O — CID 154591314

IUPAC2-(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
SMILESN#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc3c(cc21)C1(c2ccccc2-c2ccccc21)c1ccc(-c2ccc4oc5ccccc5c4c2)cc1-3
InChIInChI=1S/C65H37N5O/c66-38-44-33-43(64-68-62(39-15-3-1-4-16-39)67-63(69-64)40-17-5-2-6-18-40)28-31-57(44)70-58-25-13-9-21-47(58)51-36-50-49-34-41(42-29-32-61-52(35-42)48-22-10-14-26-60(48)71-61)27-30-55(49)65(56(50)37-59(51)70)53-23-11-7-19-45(53)46-20-8-12-24-54(46)65/h1-37H
InChIKeyWCKUUVPTTHYBIY-UHFFFAOYSA-N
MW904.04 g/mol
LogP15.75
Rot. Bonds5

About 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

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 (PubChem CID 154591314) has the molecular formula C65H37N5O and a molecular weight of 904.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID154591314
Molecular FormulaC65H37N5O
Molecular Weight904.04 g/mol
Exact Mass903.30
IUPAC Name2-(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
SMILESN#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc3c(cc21)C1(c2ccccc2-c2ccccc21)c1ccc(-c2ccc4oc5ccccc5c4c2)cc1-3
InChIInChI=1S/C65H37N5O/c66-38-44-33-43(64-68-62(39-15-3-1-4-16-39)67-63(69-64)40-17-5-2-6-18-40)28-31-57(44)70-58-25-13-9-21-47(58)51-36-50-49-34-41(42-29-32-61-52(35-42)48-22-10-14-26-60(48)71-61)27-30-55(49)65(56(50)37-59(51)70)53-23-11-7-19-45(53)46-20-8-12-24-54(46)65/h1-37H
InChIKeyWCKUUVPTTHYBIY-UHFFFAOYSA-N
XLogP15.75
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.04
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232240
9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 155232861
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 165029905
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602337
5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 155159192
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 153287979
5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 169014242
4-[4-([1]benzofuro[2,3-b]carbazol-7-yl)-3-cyanophenyl]-2-dibenzofuran-2-yl-6-phenylpyrimidine-5-carbonitrile
CID 170253018
4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-phenylpyrimidin-4-yl]benzonitrile;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 161273644

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc3c(cc21)C1(c2ccccc2-c2ccccc21)c1ccc(-c2ccc4oc5ccccc5c4c2)cc1-3.
What is the InChIKey of 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?
The InChIKey is WCKUUVPTTHYBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H37N5O/c66-38-44-33-43(64-68-62(39-15-3-1-4-16-39)67-63(69-64)40-17-5-2-6-18-40)28-31-57(44)70-58-25-13-9-21-47(58)51-36-50-49-34-41(42-29-32-61-52(35-42)48-22-10-14-26-60(48)71-61)27-30-55(49)65(56(50)37-59(51)70)53-23-11-7-19-45(53)46-20-8-12-24-54(46)65/h1-37H.
What are the key properties of 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?
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 has a molecular weight of 904.04 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154591314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).