10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine

C50H39N — CID 59195849

IUPAC10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(N4c5ccccc5C(C)(C)c5ccccc54)c4ccc(-c5ccccc5)cc34)cc21
InChIInChI=1S/C50H39N/c1-49(2)41-21-11-10-18-35(41)36-28-27-34(31-44(36)49)47-37-19-8-9-20-38(37)48(39-29-26-33(30-40(39)47)32-16-6-5-7-17-32)51-45-24-14-12-22-42(45)50(3,4)43-23-13-15-25-46(43)51/h5-31H,1-4H3
InChIKeyLZSMLQYVDJNCSM-UHFFFAOYSA-N
MW653.87 g/mol
LogP13.74
Rot. Bonds3

About 10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine

10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine (PubChem CID 59195849) has the molecular formula C50H39N and a molecular weight of 653.87 g/mol. Its IUPAC name is 10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
PubChem CID59195849
Molecular FormulaC50H39N
Molecular Weight653.87 g/mol
Exact Mass653.31
IUPAC Name10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(N4c5ccccc5C(C)(C)c5ccccc54)c4ccc(-c5ccccc5)cc34)cc21
InChIInChI=1S/C50H39N/c1-49(2)41-21-11-10-18-35(41)36-28-27-34(31-44(36)49)47-37-19-8-9-20-38(37)48(39-29-26-33(30-40(39)47)32-16-6-5-7-17-32)51-45-24-14-12-22-42(45)50(3,4)43-23-13-15-25-46(43)51/h5-31H,1-4H3
InChIKeyLZSMLQYVDJNCSM-UHFFFAOYSA-N
XLogP13.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.87
LogP ≤ 513.74
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

10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59196351
5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine
CID 59195441
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
CID 59195147
10-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-ylanthracen-9-yl]-9H-acridine
CID 59196394
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-(10-phenyl-1,4-dihydroanthracen-9-yl)phenyl]anthracene
CID 153275967
2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 59196407
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
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

Frequently Asked Questions

What is the IUPAC name of 10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine (CID 59195849) is 10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(N4c5ccccc5C(C)(C)c5ccccc54)c4ccc(-c5ccccc5)cc34)cc21.
What is the InChIKey of 10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine?
The InChIKey is LZSMLQYVDJNCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N/c1-49(2)41-21-11-10-18-35(41)36-28-27-34(31-44(36)49)47-37-19-8-9-20-38(37)48(39-29-26-33(30-40(39)47)32-16-6-5-7-17-32)51-45-24-14-12-22-42(45)50(3,4)43-23-13-15-25-46(43)51/h5-31H,1-4H3.
What are the key properties of 10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine?
10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine has a molecular weight of 653.87 g/mol, XLogP of 13.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine is sourced from PubChem (CID 59195849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).