9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene

C41H30 — CID 20822329

IUPAC9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C41H30/c1-41(2)37-25-29(27-13-5-3-6-14-27)21-23-31(37)32-24-22-30(26-38(32)41)40-35-19-11-9-17-33(35)39(28-15-7-4-8-16-28)34-18-10-12-20-36(34)40/h3-26H,1-2H3
InChIKeyZOKRCYWFWYEFMW-UHFFFAOYSA-N
MW522.69 g/mol
LogP11.30
Rot. Bonds3

About 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene

9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene (PubChem CID 20822329) has the molecular formula C41H30 and a molecular weight of 522.69 g/mol. Its IUPAC name is 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene.

Molecular Properties

Compound Name9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
PubChem CID20822329
Molecular FormulaC41H30
Molecular Weight522.69 g/mol
Exact Mass522.23
IUPAC Name9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C41H30/c1-41(2)37-25-29(27-13-5-3-6-14-27)21-23-31(37)32-24-22-30(26-38(32)41)40-35-19-11-9-17-33(35)39(28-15-7-4-8-16-28)34-18-10-12-20-36(34)40/h3-26H,1-2H3
InChIKeyZOKRCYWFWYEFMW-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 511.30
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-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene
CID 20822210
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
3,3,24,24-tetramethyl-6,21-bis[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181616
9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182575
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene
CID 123439671
9-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene?
The IUPAC name of 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene (CID 20822329) is 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene.
What is the SMILES notation for 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene?
The canonical SMILES for 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene?
The InChIKey is ZOKRCYWFWYEFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30/c1-41(2)37-25-29(27-13-5-3-6-14-27)21-23-31(37)32-24-22-30(26-38(32)41)40-35-19-11-9-17-33(35)39(28-15-7-4-8-16-28)34-18-10-12-20-36(34)40/h3-26H,1-2H3.
What are the key properties of 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene?
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene has a molecular weight of 522.69 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene is sourced from PubChem (CID 20822329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).