9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene

C65H50 — CID 91600105

IUPAC9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene
SMILESCC1(C)c2ccccc2-c2ccc(C3=c4ccccc4=C(C4=CC=C(C5=CC=C(c6c7ccccc7c(-c7ccccc7)c7ccccc67)C6C=CC=CC56)CC4)C4C=CC=CC34)cc21
InChIInChI=1S/C65H50/c1-65(2)59-31-17-16-22-48(59)49-37-36-44(40-60(49)65)63-52-25-10-8-23-50(52)62(51-24-9-11-26-53(51)63)43-34-32-41(33-35-43)45-38-39-58(47-21-7-6-20-46(45)47)64-56-29-14-12-27-54(56)61(42-18-4-3-5-19-42)55-28-13-15-30-57(55)64/h3-32,34,36-40,46-47,50,52H,33,35H2,1-2H3
InChIKeyCPJROKXUALEEGE-UHFFFAOYSA-N
MW831.12 g/mol
LogP14.72
Rot. Bonds5

About 9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene

9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene (PubChem CID 91600105) has the molecular formula C65H50 and a molecular weight of 831.12 g/mol. Its IUPAC name is 9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene.

Molecular Properties

Compound Name9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene
PubChem CID91600105
Molecular FormulaC65H50
Molecular Weight831.12 g/mol
Exact Mass830.39
IUPAC Name9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene
SMILESCC1(C)c2ccccc2-c2ccc(C3=c4ccccc4=C(C4=CC=C(C5=CC=C(c6c7ccccc7c(-c7ccccc7)c7ccccc67)C6C=CC=CC56)CC4)C4C=CC=CC34)cc21
InChIInChI=1S/C65H50/c1-65(2)59-31-17-16-22-48(59)49-37-36-44(40-60(49)65)63-52-25-10-8-23-50(52)62(51-24-9-11-26-53(51)63)43-34-32-41(33-35-43)45-38-39-58(47-21-7-6-20-46(45)47)64-56-29-14-12-27-54(56)61(42-18-4-3-5-19-42)55-28-13-15-30-57(55)64/h3-32,34,36-40,46-47,50,52H,33,35H2,1-2H3
InChIKeyCPJROKXUALEEGE-UHFFFAOYSA-N
XLogP14.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.12
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene with MolForge

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Related Compounds

8-(10-cyclohexa-1,3-dien-1-yl-4a,9a-dihydroanthracen-9-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-1,9,10,12a-tetrahydroindeno[1,2-b]fluorene
CID 90843034
9-(9,9-dimethylfluoren-2-yl)-10-[10-[9,9-dimethyl-7-[10-(3-phenylphenyl)anthracen-9-yl]fluoren-2-yl]-4-methyl-4,4a-dihydroanthracen-9-yl]anthracene
CID 163884459
9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene
CID 123439671
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
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
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-2-yl)-1,4,4a,9a-tetrahydroanthracen-9-yl]dibenzofuran
CID 130240454
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene?
The IUPAC name of 9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene (CID 91600105) is 9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene.
What is the SMILES notation for 9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene?
The canonical SMILES for 9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene is CC1(C)c2ccccc2-c2ccc(C3=c4ccccc4=C(C4=CC=C(C5=CC=C(c6c7ccccc7c(-c7ccccc7)c7ccccc67)C6C=CC=CC56)CC4)C4C=CC=CC34)cc21.
What is the InChIKey of 9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene?
The InChIKey is CPJROKXUALEEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50/c1-65(2)59-31-17-16-22-48(59)49-37-36-44(40-60(49)65)63-52-25-10-8-23-50(52)62(51-24-9-11-26-53(51)63)43-34-32-41(33-35-43)45-38-39-58(47-21-7-6-20-46(45)47)64-56-29-14-12-27-54(56)61(42-18-4-3-5-19-42)55-28-13-15-30-57(55)64/h3-32,34,36-40,46-47,50,52H,33,35H2,1-2H3.
What are the key properties of 9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene?
9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene has a molecular weight of 831.12 g/mol, XLogP of 14.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[10-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-4a,8a-dihydronaphthalen-1-yl]-10-phenylanthracene is sourced from PubChem (CID 91600105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).