3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine

C55H43N — CID 59196517

IUPAC3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine
SMILESCN1c2ccccc2C(C)(C)c2ccc(-c3c4ccccc4c(-c4cccc5c4-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21
InChIInChI=1S/C55H43N/c1-54(2)45-24-11-10-21-42(45)53-43(23-15-26-48(53)54)52-40-20-9-8-19-39(40)51(36-29-31-47-50(33-36)56(5)49-27-13-12-25-46(49)55(47,3)4)41-30-28-35(32-44(41)52)38-22-14-17-34-16-6-7-18-37(34)38/h6-33H,1-5H3
InChIKeyDIFRMWUKOOCTST-UHFFFAOYSA-N
MW717.96 g/mol
LogP14.86
Rot. Bonds3

About 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine

3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine (PubChem CID 59196517) has the molecular formula C55H43N and a molecular weight of 717.96 g/mol. Its IUPAC name is 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine.

Molecular Properties

Compound Name3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine
PubChem CID59196517
Molecular FormulaC55H43N
Molecular Weight717.96 g/mol
Exact Mass717.34
IUPAC Name3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine
SMILESCN1c2ccccc2C(C)(C)c2ccc(-c3c4ccccc4c(-c4cccc5c4-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21
InChIInChI=1S/C55H43N/c1-54(2)45-24-11-10-21-42(45)53-43(23-15-26-48(53)54)52-40-20-9-8-19-39(40)51(36-29-31-47-50(33-36)56(5)49-27-13-12-25-46(49)55(47,3)4)41-30-28-35(32-44(41)52)38-22-14-17-34-16-6-7-18-37(34)38/h6-33H,1-5H3
InChIKeyDIFRMWUKOOCTST-UHFFFAOYSA-N
XLogP14.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.96
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenoxazine
CID 59195459
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194690
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
CID 59195711
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194678
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196314
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 59194727
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenothiazine
CID 59196364
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 158036486
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925
5-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]-10-methylphenazine
CID 59195181
1-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-3,4-dihydro-2H-quinoline
CID 59195882
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419

Frequently Asked Questions

What is the IUPAC name of 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine?
The IUPAC name of 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine (CID 59196517) is 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine.
What is the SMILES notation for 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine?
The canonical SMILES for 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine is CN1c2ccccc2C(C)(C)c2ccc(-c3c4ccccc4c(-c4cccc5c4-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21.
What is the InChIKey of 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine?
The InChIKey is DIFRMWUKOOCTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N/c1-54(2)45-24-11-10-21-42(45)53-43(23-15-26-48(53)54)52-40-20-9-8-19-39(40)51(36-29-31-47-50(33-36)56(5)49-27-13-12-25-46(49)55(47,3)4)41-30-28-35(32-44(41)52)38-22-14-17-34-16-6-7-18-37(34)38/h6-33H,1-5H3.
What are the key properties of 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine?
3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine has a molecular weight of 717.96 g/mol, XLogP of 14.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine is sourced from PubChem (CID 59196517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).