6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene

C53H42 — CID 161226444

IUPAC6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cc5c(c6c4C(C)(C)c4ccccc4-6)C(C)(C)c4ccccc4-5)c4ccccc34)ccc21
InChIInChI=1S/C53H42/c1-51(2)42-24-14-11-17-32(42)39-29-31(27-28-45(39)51)46-34-19-7-9-21-36(34)47(37-22-10-8-20-35(37)46)41-30-40-33-18-12-15-25-43(33)52(3,4)49(40)48-38-23-13-16-26-44(38)53(5,6)50(41)48/h7-30H,1-6H3
InChIKeyPSAUKGZTLIMKLI-UHFFFAOYSA-N
MW678.92 g/mol
LogP14.25
Rot. Bonds2

About 6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene

6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene (PubChem CID 161226444) has the molecular formula C53H42 and a molecular weight of 678.92 g/mol. Its IUPAC name is 6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene.

Molecular Properties

Compound Name6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
PubChem CID161226444
Molecular FormulaC53H42
Molecular Weight678.92 g/mol
Exact Mass678.33
IUPAC Name6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cc5c(c6c4C(C)(C)c4ccccc4-6)C(C)(C)c4ccccc4-5)c4ccccc34)ccc21
InChIInChI=1S/C53H42/c1-51(2)42-24-14-11-17-32(42)39-29-31(27-28-45(39)51)46-34-19-7-9-21-36(34)47(37-22-10-8-20-35(37)46)41-30-40-33-18-12-15-25-43(33)52(3,4)49(40)48-38-23-13-16-26-44(38)53(5,6)50(41)48/h7-30H,1-6H3
InChIKeyPSAUKGZTLIMKLI-UHFFFAOYSA-N
XLogP14.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.92
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene
CID 171447304
9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140784212
10,10,12,12-tetramethyl-11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[2,1-b]fluorene
CID 161253003
6,6,12,12-tetramethyl-5-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b]fluorene
CID 159679931
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
6,6,12,12-tetramethyl-5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indeno[1,2-b]fluorene
CID 160961587
1-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
CID 161100523
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
3-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-11,11-dimethylbenzo[b]fluorene
CID 159143785

Frequently Asked Questions

What is the IUPAC name of 6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene?
The IUPAC name of 6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene (CID 161226444) is 6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene.
What is the SMILES notation for 6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene?
The canonical SMILES for 6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4cc5c(c6c4C(C)(C)c4ccccc4-6)C(C)(C)c4ccccc4-5)c4ccccc34)ccc21.
What is the InChIKey of 6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene?
The InChIKey is PSAUKGZTLIMKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42/c1-51(2)42-24-14-11-17-32(42)39-29-31(27-28-45(39)51)46-34-19-7-9-21-36(34)47(37-22-10-8-20-35(37)46)41-30-40-33-18-12-15-25-43(33)52(3,4)49(40)48-38-23-13-16-26-44(38)53(5,6)50(41)48/h7-30H,1-6H3.
What are the key properties of 6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene?
6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene has a molecular weight of 678.92 g/mol, XLogP of 14.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene is sourced from PubChem (CID 161226444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).