10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene

C45H32 — CID 58323304

IUPAC10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc21
InChIInChI=1S/C45H32/c1-45(2)41-19-11-10-16-35(41)36-24-23-34(28-42(36)45)44-38-18-9-8-17-37(38)43(30-13-4-3-5-14-30)40-27-33(22-25-39(40)44)32-21-20-29-12-6-7-15-31(29)26-32/h3-28H,1-2H3
InChIKeyMZBZHIIFTGFUPD-UHFFFAOYSA-N
MW572.75 g/mol
LogP12.45
Rot. Bonds3

About 10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene

10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene (PubChem CID 58323304) has the molecular formula C45H32 and a molecular weight of 572.75 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
PubChem CID58323304
Molecular FormulaC45H32
Molecular Weight572.75 g/mol
Exact Mass572.25
IUPAC Name10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc21
InChIInChI=1S/C45H32/c1-45(2)41-19-11-10-16-35(41)36-24-23-34(28-42(36)45)44-38-18-9-8-17-37(38)43(30-13-4-3-5-14-30)40-27-33(22-25-39(40)44)32-21-20-29-12-6-7-15-31(29)26-32/h3-28H,1-2H3
InChIKeyMZBZHIIFTGFUPD-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.75
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
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
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195223
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,10-diphenylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-diphenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(10-naphthalen-2-ylanthracen-9-yl)-9,10-diphenylanthracene
CID 159374462
9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;2-(9,9-dimethylfluoren-2-yl)-6,9,10-triphenylanthracene;9-(4-naphthalen-1-ylphenyl)-2,6,10-triphenylanthracene
CID 161463113
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene;2-(10-naphthalen-2-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-phenanthren-9-yl-9,10-bis(4-phenylphenyl)anthracene
CID 157129330
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(2-phenylnaphthalen-1-yl)anthracene
CID 59196085

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene?
The IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene (CID 58323304) is 10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene.
What is the SMILES notation for 10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene?
The canonical SMILES for 10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc6ccccc6c5)ccc34)cc21.
What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene?
The InChIKey is MZBZHIIFTGFUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32/c1-45(2)41-19-11-10-16-35(41)36-24-23-34(28-42(36)45)44-38-18-9-8-17-37(38)43(30-13-4-3-5-14-30)40-27-33(22-25-39(40)44)32-21-20-29-12-6-7-15-31(29)26-32/h3-28H,1-2H3.
What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene?
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene has a molecular weight of 572.75 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene is sourced from PubChem (CID 58323304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).