4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene

C128H91N — CID 161445757

IUPAC4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc(C#N)cc4)c4ccc(-c5ccccc5)cc34)cccc21.CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(/C=C/c4ccccc4)c4ccc(-c5ccccc5)cc34)cccc21.CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(C#Cc4ccccc4)c4ccc(-c5ccccc5)cc34)cccc21
InChIInChI=1S/C43H32.C43H30.C42H29N/c2*1-43(2)39-22-12-11-20-36(39)42-37(21-13-23-40(42)43)41-35-19-10-9-18-32(35)33(26-24-29-14-5-3-6-15-29)34-27-25-31(28-38(34)41)30-16-7-4-8-17-30;1-42(2)37-17-9-8-15-34(37)41-35(16-10-18-38(41)42)40-32-14-7-6-13-31(32)39(29-21-19-27(26-43)20-22-29)33-24-23-30(25-36(33)40)28-11-4-3-5-12-28/h3-28H,1-2H3;3-23,25,27-28H,1-2H3;3-25H,1-2H3/b26-24+;;
InChIKeyVZWGTZLTXGMBRV-FFBDJLORSA-N
MW1643.14 g/mol
LogP34.01
Rot. Bonds9

About 4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene

4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene (PubChem CID 161445757) has the molecular formula C128H91N and a molecular weight of 1643.14 g/mol. Its IUPAC name is 4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene.

Molecular Properties

Compound Name4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene
PubChem CID161445757
Molecular FormulaC128H91N
Molecular Weight1643.14 g/mol
Exact Mass1641.72
IUPAC Name4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc(C#N)cc4)c4ccc(-c5ccccc5)cc34)cccc21.CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(/C=C/c4ccccc4)c4ccc(-c5ccccc5)cc34)cccc21.CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(C#Cc4ccccc4)c4ccc(-c5ccccc5)cc34)cccc21
InChIInChI=1S/C43H32.C43H30.C42H29N/c2*1-43(2)39-22-12-11-20-36(39)42-37(21-13-23-40(42)43)41-35-19-10-9-18-32(35)33(26-24-29-14-5-3-6-15-29)34-27-25-31(28-38(34)41)30-16-7-4-8-17-30;1-42(2)37-17-9-8-15-34(37)41-35(16-10-18-38(41)42)40-32-14-7-6-13-31(32)39(29-21-19-27(26-43)20-22-29)33-24-23-30(25-36(33)40)28-11-4-3-5-12-28/h3-28H,1-2H3;3-23,25,27-28H,1-2H3;3-25H,1-2H3/b26-24+;;
InChIKeyVZWGTZLTXGMBRV-FFBDJLORSA-N
XLogP34.01
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001643.14
LogP ≤ 534.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene with MolForge

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Related Compounds

4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-(2-phenylethynyl)anthracene
CID 160609194
3-[4-[10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]phenyl]benzonitrile
CID 167178488
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene
CID 59195272
3-[10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]benzonitrile
CID 89026938
9-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]acridine
CID 59196514
4-[16-(4-cyanophenyl)-12,12,20,20-tetramethyl-2-heptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1,3,5(13),6,8,10,14,16,18,21,23,25,27-tridecaenyl]benzonitrile
CID 89024618
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194678
4-[6-(4-cyanophenyl)-9,10-diphenylanthracen-2-yl]benzonitrile
CID 89036096
4-(6,9,10-triphenylanthracen-2-yl)benzonitrile
CID 89026925

Frequently Asked Questions

What is the IUPAC name of 4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene?
The IUPAC name of 4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene (CID 161445757) is 4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene.
What is the SMILES notation for 4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene?
The canonical SMILES for 4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene is CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc(C#N)cc4)c4ccc(-c5ccccc5)cc34)cccc21.CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(/C=C/c4ccccc4)c4ccc(-c5ccccc5)cc34)cccc21.CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(C#Cc4ccccc4)c4ccc(-c5ccccc5)cc34)cccc21.
What is the InChIKey of 4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene?
The InChIKey is VZWGTZLTXGMBRV-FFBDJLORSA-N. The full InChI is InChI=1S/C43H32.C43H30.C42H29N/c2*1-43(2)39-22-12-11-20-36(39)42-37(21-13-23-40(42)43)41-35-19-10-9-18-32(35)33(26-24-29-14-5-3-6-15-29)34-27-25-31(28-38(34)41)30-16-7-4-8-17-30;1-42(2)37-17-9-8-15-34(37)41-35(16-10-18-38(41)42)40-32-14-7-6-13-31(32)39(29-21-19-27(26-43)20-22-29)33-24-23-30(25-36(33)40)28-11-4-3-5-12-28/h3-28H,1-2H3;3-23,25,27-28H,1-2H3;3-25H,1-2H3/b26-24+;;.
What are the key properties of 4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene?
4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene has a molecular weight of 1643.14 g/mol, XLogP of 34.01, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]benzonitrile;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-[(E)-2-phenylethenyl]anthracene;9-(9,9-dimethylfluoren-4-yl)-2-phenyl-10-(2-phenylethynyl)anthracene is sourced from PubChem (CID 161445757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).