9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene

C45H34 — CID 153275934

IUPAC9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(C4=c5ccccc5=CCC4)c4cc(-c5ccccc5)ccc34)cc21
InChIInChI=1S/C45H34/c1-45(2)41-22-11-10-18-34(41)35-25-24-32(28-42(35)45)43-37-19-8-9-20-38(37)44(36-21-12-16-30-15-6-7-17-33(30)36)40-27-31(23-26-39(40)43)29-13-4-3-5-14-29/h3-11,13-20,22-28H,12,21H2,1-2H3
InChIKeyCOQBGWBVQRWIRG-UHFFFAOYSA-N
MW574.77 g/mol
LogP10.41
Rot. Bonds3

About 9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene

9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene (PubChem CID 153275934) has the molecular formula C45H34 and a molecular weight of 574.77 g/mol. Its IUPAC name is 9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene.

Molecular Properties

Compound Name9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene
PubChem CID153275934
Molecular FormulaC45H34
Molecular Weight574.77 g/mol
Exact Mass574.27
IUPAC Name9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(C4=c5ccccc5=CCC4)c4cc(-c5ccccc5)ccc34)cc21
InChIInChI=1S/C45H34/c1-45(2)41-22-11-10-18-34(41)35-25-24-32(28-42(35)45)43-37-19-8-9-20-38(37)44(36-21-12-16-30-15-6-7-17-33(30)36)40-27-31(23-26-39(40)43)29-13-4-3-5-14-29/h3-11,13-20,22-28H,12,21H2,1-2H3
InChIKeyCOQBGWBVQRWIRG-UHFFFAOYSA-N
XLogP10.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
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-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclopentane-1,9'-fluorene]
CID 59196407
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]dibenzofuran
CID 59196306
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
10-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59195849
2'-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]spiro[cyclohexane-1,9'-fluorene]
CID 59195417
9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
CID 59195147

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene?
The IUPAC name of 9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene (CID 153275934) is 9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene.
What is the SMILES notation for 9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene?
The canonical SMILES for 9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(C4=c5ccccc5=CCC4)c4cc(-c5ccccc5)ccc34)cc21.
What is the InChIKey of 9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene?
The InChIKey is COQBGWBVQRWIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34/c1-45(2)41-22-11-10-18-34(41)35-25-24-32(28-42(35)45)43-37-19-8-9-20-38(37)44(36-21-12-16-30-15-6-7-17-33(30)36)40-27-31(23-26-39(40)43)29-13-4-3-5-14-29/h3-11,13-20,22-28H,12,21H2,1-2H3.
What are the key properties of 9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene?
9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene has a molecular weight of 574.77 g/mol, XLogP of 10.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dihydronaphthalen-1-yl)-10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracene is sourced from PubChem (CID 153275934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).