9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene

C47H34 — CID 171447304

IUPAC9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc34)ccc21
InChIInChI=1S/C47H34/c1-47(2)42-27-14-13-20-36(42)41-30-33(28-29-43(41)47)44-37-21-9-11-23-39(37)46(40-24-12-10-22-38(40)44)45-34(31-16-5-3-6-17-31)25-15-26-35(45)32-18-7-4-8-19-32/h3-30H,1-2H3
InChIKeyAIOYHHTYZMANCK-UHFFFAOYSA-N
MW598.79 g/mol
LogP12.97
Rot. Bonds4

About 9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene

9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene (PubChem CID 171447304) has the molecular formula C47H34 and a molecular weight of 598.79 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene
PubChem CID171447304
Molecular FormulaC47H34
Molecular Weight598.79 g/mol
Exact Mass598.27
IUPAC Name9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc34)ccc21
InChIInChI=1S/C47H34/c1-47(2)42-27-14-13-20-36(42)41-30-33(28-29-43(41)47)44-37-21-9-11-23-39(37)46(40-24-12-10-22-38(40)44)45-34(31-16-5-3-6-17-31)25-15-26-35(45)32-18-7-4-8-19-32/h3-30H,1-2H3
InChIKeyAIOYHHTYZMANCK-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.79
LogP ≤ 512.97
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-[3-(9,9-dimethylfluoren-3-yl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140784212
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
5-(9,9-dimethylfluoren-2-yl)-13-(2,6-diphenylphenyl)pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 59156210
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-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
6-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-7,7,12,12-tetramethylindeno[1,2-c]fluorene
CID 161226444
9,9,14,14-tetramethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 158811180
2-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]pyrimidine
CID 59195756

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene (CID 171447304) is 9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc34)ccc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene?
The InChIKey is AIOYHHTYZMANCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34/c1-47(2)42-27-14-13-20-36(42)41-30-33(28-29-43(41)47)44-37-21-9-11-23-39(37)46(40-24-12-10-22-38(40)44)45-34(31-16-5-3-6-17-31)25-15-26-35(45)32-18-7-4-8-19-32/h3-30H,1-2H3.
What are the key properties of 9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene?
9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene has a molecular weight of 598.79 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-3-yl)-10-(2,6-diphenylphenyl)anthracene is sourced from PubChem (CID 171447304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).