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

C157H114N4OS — CID 157222318

IUPAC2-[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
SMILESCN1c2ccccc2N(C)c2cc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)ccc21.CN1c2ccccc2Oc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21.CN1c2ccccc2Sc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21
InChIInChI=1S/C53H40N2.C52H37NO.C52H37NS/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;2*1-52(2)44-20-9-8-16-38(44)42-30-34(24-27-45(42)52)51-40-18-7-6-17-39(40)50(35-25-28-49-47(31-35)53(3)46-21-10-11-22-48(46)54-49)41-26-23-33(29-43(41)51)37-19-12-14-32-13-4-5-15-36(32)37/h5-32H,1-4H3;2*4-31H,1-3H3
InChIKeyATDFHINJPSCTFS-UHFFFAOYSA-N
MW2104.73 g/mol
LogP43.32
Rot. Bonds9

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]-10-methylphenothiazine;2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenoxazine

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 (PubChem CID 157222318) has the molecular formula C157H114N4OS and a molecular weight of 2104.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID157222318
Molecular FormulaC157H114N4OS
Molecular Weight2104.73 g/mol
Exact Mass2102.87
IUPAC Name2-[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
SMILESCN1c2ccccc2N(C)c2cc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)ccc21.CN1c2ccccc2Oc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21.CN1c2ccccc2Sc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21
InChIInChI=1S/C53H40N2.C52H37NO.C52H37NS/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;2*1-52(2)44-20-9-8-16-38(44)42-30-34(24-27-45(42)52)51-40-18-7-6-17-39(40)50(35-25-28-49-47(31-35)53(3)46-21-10-11-22-48(46)54-49)41-26-23-33(29-43(41)51)37-19-12-14-32-13-4-5-15-36(32)37/h5-32H,1-4H3;2*4-31H,1-3H3
InChIKeyATDFHINJPSCTFS-UHFFFAOYSA-N
XLogP43.32
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms163
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002104.73
LogP ≤ 543.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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]-10-methylphenothiazine
CID 59196364
2-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenoxazine
CID 59195459
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
CID 59195711
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine
CID 59195509
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-10-methylphenoxazine
CID 59194851
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-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-11-methyl-5,6-dihydrobenzo[b][1]benzazepine
CID 59196377
9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene
CID 59196077
10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220074

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;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?
The IUPAC name 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]-10-methylphenothiazine;2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenoxazine (CID 157222318) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1c2ccccc2N(C)c2cc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)ccc21.CN1c2ccccc2Oc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21.CN1c2ccccc2Sc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C5(C)C)c4cc(-c5cccc6ccccc56)ccc34)cc21.
What is the InChIKey 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]-10-methylphenothiazine;2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenoxazine?
The InChIKey is ATDFHINJPSCTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N2.C52H37NO.C52H37NS/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;2*1-52(2)44-20-9-8-16-38(44)42-30-34(24-27-45(42)52)51-40-18-7-6-17-39(40)50(35-25-28-49-47(31-35)53(3)46-21-10-11-22-48(46)54-49)41-26-23-33(29-43(41)51)37-19-12-14-32-13-4-5-15-36(32)37/h5-32H,1-4H3;2*4-31H,1-3H3.
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]-10-methylphenothiazine;2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenoxazine?
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 has a molecular weight of 2104.73 g/mol, XLogP of 43.32, 9 rotatable bonds, 0 hydrogen bond donors, and 6 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;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 is sourced from PubChem (CID 157222318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).