2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine

C53H40N2 — CID 59194690

IUPAC2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
SMILESCN1c2ccccc2N(C)c2cc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)ccc21
InChIInChI=1S/C53H40N2/c1-53(2)45-21-10-9-17-39(45)43-31-35(25-28-46(43)53)52-41-19-8-7-18-40(41)51(36-26-29-49-50(32-36)55(4)48-23-12-11-22-47(48)54(49)3)42-27-24-34(30-44(42)52)38-20-13-15-33-14-5-6-16-37(33)38/h5-32H,1-4H3
InChIKeyFNJFDQZMQDUCDQ-UHFFFAOYSA-N
MW704.92 g/mol
LogP14.30
Rot. Bonds3

About 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine

2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine (PubChem CID 59194690) has the molecular formula C53H40N2 and a molecular weight of 704.92 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine.

Molecular Properties

Compound Name2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
PubChem CID59194690
Molecular FormulaC53H40N2
Molecular Weight704.92 g/mol
Exact Mass704.32
IUPAC Name2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
SMILESCN1c2ccccc2N(C)c2cc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)ccc21
InChIInChI=1S/C53H40N2/c1-53(2)45-21-10-9-17-39(45)43-31-35(25-28-46(43)53)52-41-19-8-7-18-40(41)51(36-26-29-49-50(32-36)55(4)48-23-12-11-22-47(48)54(49)3)42-27-24-34(30-44(42)52)38-20-13-15-33-14-5-6-16-37(33)38/h5-32H,1-4H3
InChIKeyFNJFDQZMQDUCDQ-UHFFFAOYSA-N
XLogP14.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.92
LogP ≤ 514.30
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

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;2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenothiazine;2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenoxazine
CID 157222318
3-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-9,9,10-trimethylacridine
CID 59196517
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196012
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenothiazine
CID 59196364
9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene
CID 59196077
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-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194678
10-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-9H-acridine;5-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline;5-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenazine
CID 159465315
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-naphthalen-1-ylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220680
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine
CID 59196377

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine?
The IUPAC name of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine (CID 59194690) is 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine.
What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine?
The canonical SMILES for 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine is CN1c2ccccc2N(C)c2cc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)ccc21.
What is the InChIKey of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine?
The InChIKey is FNJFDQZMQDUCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2/c1-53(2)45-21-10-9-17-39(45)43-31-35(25-28-46(43)53)52-41-19-8-7-18-40(41)51(36-26-29-49-50(32-36)55(4)48-23-12-11-22-47(48)54(49)3)42-27-24-34(30-44(42)52)38-20-13-15-33-14-5-6-16-37(33)38/h5-32H,1-4H3.
What are the key properties of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine?
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine has a molecular weight of 704.92 g/mol, XLogP of 14.30, 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-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine is sourced from PubChem (CID 59194690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).