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

C85H62 — CID 163884459

IUPAC9-(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
SMILESCC1C=CC=C2C(c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)=c3ccccc3=C(c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6cccc(-c7ccccc7)c6)c6ccccc56)ccc3-4)C21
InChIInChI=1S/C85H62/c1-51-23-21-39-72-77(51)81(68-35-15-18-38-71(68)83(72)82-69-36-16-13-33-66(69)80(67-34-14-17-37-70(67)82)55-41-44-59-58-28-19-20-40-73(58)84(2,3)74(59)48-55)57-43-46-61-60-45-42-56(49-75(60)85(4,5)76(61)50-57)79-64-31-11-9-29-62(64)78(63-30-10-12-32-65(63)79)54-27-22-26-53(47-54)52-24-7-6-8-25-52/h6-51,77H,1-5H3
InChIKeyPWDLDGPLHFWRHI-UHFFFAOYSA-N
MW1083.43 g/mol
LogP20.74
Rot. Bonds6

About 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

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 (PubChem CID 163884459) has the molecular formula C85H62 and a molecular weight of 1083.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID163884459
Molecular FormulaC85H62
Molecular Weight1083.43 g/mol
Exact Mass1082.49
IUPAC Name9-(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
SMILESCC1C=CC=C2C(c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)=c3ccccc3=C(c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6cccc(-c7ccccc7)c6)c6ccccc56)ccc3-4)C21
InChIInChI=1S/C85H62/c1-51-23-21-39-72-77(51)81(68-35-15-18-38-71(68)83(72)82-69-36-16-13-33-66(69)80(67-34-14-17-37-70(67)82)55-41-44-59-58-28-19-20-40-73(58)84(2,3)74(59)48-55)57-43-46-61-60-45-42-56(49-75(60)85(4,5)76(61)50-57)79-64-31-11-9-29-62(64)78(63-30-10-12-32-65(63)79)54-27-22-26-53(47-54)52-24-7-6-8-25-52/h6-51,77H,1-5H3
InChIKeyPWDLDGPLHFWRHI-UHFFFAOYSA-N
XLogP20.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.43
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
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)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
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-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
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
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
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
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C=CC=C2C(c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)=c3ccccc3=C(c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6cccc(-c7ccccc7)c6)c6ccccc56)ccc3-4)C21.
What is the InChIKey of 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?
The InChIKey is PWDLDGPLHFWRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H62/c1-51-23-21-39-72-77(51)81(68-35-15-18-38-71(68)83(72)82-69-36-16-13-33-66(69)80(67-34-14-17-37-70(67)82)55-41-44-59-58-28-19-20-40-73(58)84(2,3)74(59)48-55)57-43-46-61-60-45-42-56(49-75(60)85(4,5)76(61)50-57)79-64-31-11-9-29-62(64)78(63-30-10-12-32-65(63)79)54-27-22-26-53(47-54)52-24-7-6-8-25-52/h6-51,77H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 1083.43 g/mol, XLogP of 20.74, 6 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)-10-[10-[9,9-dimethyl-7-[10-(3-phenylphenyl)anthracen-9-yl]fluoren-2-yl]-4-methyl-4,4a-dihydroanthracen-9-yl]anthracene is sourced from PubChem (CID 163884459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).