9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene

C37H30 — CID 20822083

IUPAC9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene
SMILESCc1cccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(C)cccc3c(-c3ccccc3)c12
InChIInChI=1S/C37H30/c1-23-12-11-18-30-33(23)35(25-14-6-5-7-15-25)29-17-10-13-24(2)34(29)36(30)26-20-21-28-27-16-8-9-19-31(27)37(3,4)32(28)22-26/h5-22H,1-4H3
InChIKeyMJKFYACHVJFFJJ-UHFFFAOYSA-N
MW474.65 g/mol
LogP10.25
Rot. Bonds2

About 9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene

9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene (PubChem CID 20822083) has the molecular formula C37H30 and a molecular weight of 474.65 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene
PubChem CID20822083
Molecular FormulaC37H30
Molecular Weight474.65 g/mol
Exact Mass474.23
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene
SMILESCc1cccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(C)cccc3c(-c3ccccc3)c12
InChIInChI=1S/C37H30/c1-23-12-11-18-30-33(23)35(25-14-6-5-7-15-25)29-17-10-13-24(2)34(29)36(30)26-20-21-28-27-16-8-9-19-31(27)37(3,4)32(28)22-26/h5-22H,1-4H3
InChIKeyMJKFYACHVJFFJJ-UHFFFAOYSA-N
XLogP10.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 510.25
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)-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-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
13-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 58160934
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
3,17-bis(9,9-dimethylfluoren-2-yl)-10,20-diphenylheptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 140722815
3-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 58250850
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
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
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene (CID 20822083) is 9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene is Cc1cccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(C)cccc3c(-c3ccccc3)c12.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene?
The InChIKey is MJKFYACHVJFFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30/c1-23-12-11-18-30-33(23)35(25-14-6-5-7-15-25)29-17-10-13-24(2)34(29)36(30)26-20-21-28-27-16-8-9-19-31(27)37(3,4)32(28)22-26/h5-22H,1-4H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene?
9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene has a molecular weight of 474.65 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-1,5-dimethyl-10-phenylanthracene is sourced from PubChem (CID 20822083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).