2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine

C49H38N2 — CID 59194678

IUPAC2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine
SMILESCN1c2ccccc2N(C)c2cc(-c3c4ccccc4c(-c4cccc5c4-c4ccccc4C5(C)C)c4cc(-c5ccccc5)ccc34)ccc21
InChIInChI=1S/C49H38N2/c1-49(2)40-21-11-10-19-37(40)48-38(20-14-22-41(48)49)47-35-18-9-8-17-34(35)46(36-27-25-32(29-39(36)47)31-15-6-5-7-16-31)33-26-28-44-45(30-33)51(4)43-24-13-12-23-42(43)50(44)3/h5-30H,1-4H3
InChIKeyLFBKUNRLQXDQTP-UHFFFAOYSA-N
MW654.86 g/mol
LogP13.15
Rot. Bonds3

About 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine

2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine (PubChem CID 59194678) has the molecular formula C49H38N2 and a molecular weight of 654.86 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine.

Molecular Properties

Compound Name2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine
PubChem CID59194678
Molecular FormulaC49H38N2
Molecular Weight654.86 g/mol
Exact Mass654.30
IUPAC Name2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine
SMILESCN1c2ccccc2N(C)c2cc(-c3c4ccccc4c(-c4cccc5c4-c4ccccc4C5(C)C)c4cc(-c5ccccc5)ccc34)ccc21
InChIInChI=1S/C49H38N2/c1-49(2)40-21-11-10-19-37(40)48-38(20-14-22-41(48)49)47-35-18-9-8-17-34(35)46(36-27-25-32(29-39(36)47)31-15-6-5-7-16-31)33-26-28-44-45(30-33)51(4)43-24-13-12-23-42(43)50(44)3/h5-30H,1-4H3
InChIKeyLFBKUNRLQXDQTP-UHFFFAOYSA-N
XLogP13.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.86
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine
CID 59196517
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
CID 59195711
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194690
5-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-2-ylanthracen-9-yl]-10-methylphenazine
CID 59195181
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
9-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]acridine
CID 59196514
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
2-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenoxazine
CID 59195459
10-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]phenothiazine
CID 59195940
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-10-methylphenoxazine
CID 59194851
9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 59196370

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine?
The IUPAC name of 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine (CID 59194678) is 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine.
What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine?
The canonical SMILES for 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine is CN1c2ccccc2N(C)c2cc(-c3c4ccccc4c(-c4cccc5c4-c4ccccc4C5(C)C)c4cc(-c5ccccc5)ccc34)ccc21.
What is the InChIKey of 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine?
The InChIKey is LFBKUNRLQXDQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N2/c1-49(2)40-21-11-10-19-37(40)48-38(20-14-22-41(48)49)47-35-18-9-8-17-34(35)46(36-27-25-32(29-39(36)47)31-15-6-5-7-16-31)33-26-28-44-45(30-33)51(4)43-24-13-12-23-42(43)50(44)3/h5-30H,1-4H3.
What are the key properties of 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine?
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine has a molecular weight of 654.86 g/mol, XLogP of 13.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine is sourced from PubChem (CID 59194678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).