3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine

C58H45N — CID 59195977

IUPAC3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine
SMILESCN1c2ccccc2Cc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21
InChIInChI=1S/C58H45N/c1-57(2)49-19-11-9-15-41(49)43-27-24-36(32-51(43)57)35-25-29-47-48(31-35)56(39-26-28-44-42-16-10-12-20-50(42)58(3,4)52(44)33-39)46-18-8-7-17-45(46)55(47)40-23-22-38-30-37-14-6-13-21-53(37)59(5)54(38)34-40/h6-29,31-34H,30H2,1-5H3
InChIKeyMMPSQPSQSBAPFY-UHFFFAOYSA-N
MW756.00 g/mol
LogP15.28
Rot. Bonds3

About 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine

3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine (PubChem CID 59195977) has the molecular formula C58H45N and a molecular weight of 756.00 g/mol. Its IUPAC name is 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine.

Molecular Properties

Compound Name3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine
PubChem CID59195977
Molecular FormulaC58H45N
Molecular Weight756.00 g/mol
Exact Mass755.36
IUPAC Name3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine
SMILESCN1c2ccccc2Cc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21
InChIInChI=1S/C58H45N/c1-57(2)49-19-11-9-15-41(49)43-27-24-36(32-51(43)57)35-25-29-47-48(31-35)56(39-26-28-44-42-16-10-12-20-50(42)58(3,4)52(44)33-39)46-18-8-7-17-45(46)55(47)40-23-22-38-30-37-14-6-13-21-53(37)59(5)54(38)34-40/h6-29,31-34H,30H2,1-5H3
InChIKeyMMPSQPSQSBAPFY-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.00
LogP ≤ 515.28
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

3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine
CID 59195073
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methyl-9H-acridine;2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-10-methylphenothiazine;3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9,9,10-trimethylacridine
CID 159013709
10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene
CID 156682573
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine
CID 59196377
10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine
CID 59196394
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine
CID 59195509
5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine
CID 59195441
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-11-methylbenzo[b][1]benzazepine
CID 59195488
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
CID 59195711
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-10-methylphenoxazine
CID 59194851
10-[6-(9H-acridin-10-yl)-9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-2-yl]-9H-acridine
CID 59220894
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole
CID 59195703

Frequently Asked Questions

What is the IUPAC name of 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine?
The IUPAC name of 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine (CID 59195977) is 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine.
What is the SMILES notation for 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine?
The canonical SMILES for 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine is CN1c2ccccc2Cc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21.
What is the InChIKey of 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine?
The InChIKey is MMPSQPSQSBAPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-57(2)49-19-11-9-15-41(49)43-27-24-36(32-51(43)57)35-25-29-47-48(31-35)56(39-26-28-44-42-16-10-12-20-50(42)58(3,4)52(44)33-39)46-18-8-7-17-45(46)55(47)40-23-22-38-30-37-14-6-13-21-53(37)59(5)54(38)34-40/h6-29,31-34H,30H2,1-5H3.
What are the key properties of 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine?
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine has a molecular weight of 756.00 g/mol, XLogP of 15.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine is sourced from PubChem (CID 59195977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).