9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene

C54H40 — CID 20822253

IUPAC9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)ccc3-4)cc21
InChIInChI=1S/C54H40/c1-53(2)47-20-12-11-15-39(47)40-26-23-35(30-48(40)53)36-24-27-41-42-28-25-38(32-50(42)54(3,4)49(41)31-36)52-45-18-9-7-16-43(45)51(44-17-8-10-19-46(44)52)37-22-21-33-13-5-6-14-34(33)29-37/h5-32H,1-4H3
InChIKeyQIAMGABOBRGHEX-UHFFFAOYSA-N
MW688.91 g/mol
LogP14.76
Rot. Bonds3

About 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene

9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene (PubChem CID 20822253) has the molecular formula C54H40 and a molecular weight of 688.91 g/mol. Its IUPAC name is 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
PubChem CID20822253
Molecular FormulaC54H40
Molecular Weight688.91 g/mol
Exact Mass688.31
IUPAC Name9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)ccc3-4)cc21
InChIInChI=1S/C54H40/c1-53(2)47-20-12-11-15-39(47)40-26-23-35(30-48(40)53)36-24-27-41-42-28-25-38(32-50(42)54(3,4)49(41)31-36)52-45-18-9-7-16-43(45)51(44-17-8-10-19-46(44)52)37-22-21-33-13-5-6-14-34(33)29-37/h5-32H,1-4H3
InChIKeyQIAMGABOBRGHEX-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.91
LogP ≤ 514.76
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-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351
9-(9,9-dimethylfluoren-2-yl)-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
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-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196658
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
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175295
9-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-15-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151602

Frequently Asked Questions

What is the IUPAC name of 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene (CID 20822253) is 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)ccc3-4)cc21.
What is the InChIKey of 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene?
The InChIKey is QIAMGABOBRGHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40/c1-53(2)47-20-12-11-15-39(47)40-26-23-35(30-48(40)53)36-24-27-41-42-28-25-38(32-50(42)54(3,4)49(41)31-36)52-45-18-9-7-16-43(45)51(44-17-8-10-19-46(44)52)37-22-21-33-13-5-6-14-34(33)29-37/h5-32H,1-4H3.
What are the key properties of 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene?
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene has a molecular weight of 688.91 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 20822253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).