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

C140H97N — CID 160609194

IUPAC4-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C#N)cc4)c4ccc(-c5cccc6ccccc56)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(/C=C/c4ccccc4)c4ccc(-c5cccc6ccccc56)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(C#Cc4ccccc4)c4ccc(-c5cccc6ccccc56)cc34)cc21
InChIInChI=1S/C47H34.C47H32.C46H31N/c2*1-47(2)44-22-11-10-19-40(44)41-28-25-34(30-45(41)47)46-42-20-9-8-18-37(42)38(26-23-31-13-4-3-5-14-31)39-27-24-33(29-43(39)46)36-21-12-16-32-15-6-7-17-35(32)36;1-46(2)42-17-8-7-13-36(42)37-24-23-33(27-43(37)46)45-39-15-6-5-14-38(39)44(31-20-18-29(28-47)19-21-31)40-25-22-32(26-41(40)45)35-16-9-11-30-10-3-4-12-34(30)35/h3-30H,1-2H3;3-22,24-25,27-30H,1-2H3;3-27H,1-2H3/b26-23+;;
InChIKeyRFGYBEQKKIMZIM-KYAAJVPUSA-N
MW1793.32 g/mol
LogP37.47
Rot. Bonds9

About 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

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 (PubChem CID 160609194) has the molecular formula C140H97N and a molecular weight of 1793.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID160609194
Molecular FormulaC140H97N
Molecular Weight1793.32 g/mol
Exact Mass1791.76
IUPAC Name4-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C#N)cc4)c4ccc(-c5cccc6ccccc56)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(/C=C/c4ccccc4)c4ccc(-c5cccc6ccccc56)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(C#Cc4ccccc4)c4ccc(-c5cccc6ccccc56)cc34)cc21
InChIInChI=1S/C47H34.C47H32.C46H31N/c2*1-47(2)44-22-11-10-19-40(44)41-28-25-34(30-45(41)47)46-42-20-9-8-18-37(42)38(26-23-31-13-4-3-5-14-31)39-27-24-33(29-43(39)46)36-21-12-16-32-15-6-7-17-35(32)36;1-46(2)42-17-8-7-13-36(42)37-24-23-33(27-43(37)46)45-39-15-6-5-14-38(39)44(31-20-18-29(28-47)19-21-31)40-25-22-32(26-41(40)45)35-16-9-11-30-10-3-4-12-34(30)35/h3-30H,1-2H3;3-22,24-25,27-30H,1-2H3;3-27H,1-2H3/b26-23+;;
InChIKeyRFGYBEQKKIMZIM-KYAAJVPUSA-N
XLogP37.47
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001793.32
LogP ≤ 537.47
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-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 with MolForge

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Related Compounds

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
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175465
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9,10-diphenylanthracene
CID 58251720
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene
CID 59195272
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]pyridine
CID 59194825
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175514
2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene
CID 161191738
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 159934414
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-(4-naphthalen-2-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 160521969
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene;2-(4-phenylnaphthalen-1-yl)-9,10-bis(4-phenylphenyl)anthracene
CID 159207941
2,9-bis(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene
CID 160579929
3-[10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]benzonitrile
CID 89026938

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C#N)cc4)c4ccc(-c5cccc6ccccc56)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(/C=C/c4ccccc4)c4ccc(-c5cccc6ccccc56)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(C#Cc4ccccc4)c4ccc(-c5cccc6ccccc56)cc34)cc21.
What is the InChIKey of 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?
The InChIKey is RFGYBEQKKIMZIM-KYAAJVPUSA-N. The full InChI is InChI=1S/C47H34.C47H32.C46H31N/c2*1-47(2)44-22-11-10-19-40(44)41-28-25-34(30-45(41)47)46-42-20-9-8-18-37(42)38(26-23-31-13-4-3-5-14-31)39-27-24-33(29-43(39)46)36-21-12-16-32-15-6-7-17-35(32)36;1-46(2)42-17-8-7-13-36(42)37-24-23-33(27-43(37)46)45-39-15-6-5-14-38(39)44(31-20-18-29(28-47)19-21-31)40-25-22-32(26-41(40)45)35-16-9-11-30-10-3-4-12-34(30)35/h3-30H,1-2H3;3-22,24-25,27-30H,1-2H3;3-27H,1-2H3/b26-23+;;.
What are the key properties of 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?
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 has a molecular weight of 1793.32 g/mol, XLogP of 37.47, 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-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 is sourced from PubChem (CID 160609194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).