9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene

C65H44 — CID 58174880

IUPAC9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
SMILESCC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4ccccc34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C65H44/c1-65(2)59-39-43(33-35-48(59)49-36-34-44(40-60(49)65)63-52-27-13-11-25-50(52)61(41-19-5-3-6-20-41)51-26-12-14-28-53(51)63)45-37-38-58(47-24-10-9-23-46(45)47)64-56-31-17-15-29-54(56)62(42-21-7-4-8-22-42)55-30-16-18-32-57(55)64/h3-40H,1-2H3
InChIKeyICWCKFJIHPQCPQ-UHFFFAOYSA-N
MW825.07 g/mol
LogP18.09
Rot. Bonds5

About 9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene

9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene (PubChem CID 58174880) has the molecular formula C65H44 and a molecular weight of 825.07 g/mol. Its IUPAC name is 9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene.

Molecular Properties

Compound Name9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
PubChem CID58174880
Molecular FormulaC65H44
Molecular Weight825.07 g/mol
Exact Mass824.34
IUPAC Name9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
SMILESCC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4ccccc34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C65H44/c1-65(2)59-39-43(33-35-48(59)49-36-34-44(40-60(49)65)63-52-27-13-11-25-50(52)61(41-19-5-3-6-20-41)51-26-12-14-28-53(51)63)45-37-38-58(47-24-10-9-23-46(45)47)64-56-31-17-15-29-54(56)62(42-21-7-4-8-22-42)55-30-16-18-32-57(55)64/h3-40H,1-2H3
InChIKeyICWCKFJIHPQCPQ-UHFFFAOYSA-N
XLogP18.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.07
LogP ≤ 518.09
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-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
CID 142701707
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 160677802
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9,9,21,21-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-(4-fluorophenyl)-10-[7-[10-(4-fluorophenyl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]anthracene
CID 20821966
9-[7-(12,12-dimethyl-15-phenyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-9,9-dimethylfluoren-2-yl]-12,12-dimethyl-15-phenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479637
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene?
The IUPAC name of 9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene (CID 58174880) is 9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene.
What is the SMILES notation for 9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene?
The canonical SMILES for 9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene is CC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4ccccc34)ccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of 9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene?
The InChIKey is ICWCKFJIHPQCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44/c1-65(2)59-39-43(33-35-48(59)49-36-34-44(40-60(49)65)63-52-27-13-11-25-50(52)61(41-19-5-3-6-20-41)51-26-12-14-28-53(51)63)45-37-38-58(47-24-10-9-23-46(45)47)64-56-31-17-15-29-54(56)62(42-21-7-4-8-22-42)55-30-16-18-32-57(55)64/h3-40H,1-2H3.
What are the key properties of 9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene?
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene has a molecular weight of 825.07 g/mol, XLogP of 18.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene is sourced from PubChem (CID 58174880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).