1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene

C52H38 — CID 144802928

IUPAC1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene
SMILESCC1(C)c2cc3c(cc2-c2cccc(-c4ccc(-c5c6ccccc6c(-c6ccc7c(c6)-c6ccccc6C7)c6ccccc56)cc4)c21)C=CCC3
InChIInChI=1S/C52H38/c1-52(2)48-31-35-13-4-3-12-34(35)29-47(48)45-21-11-20-40(51(45)52)32-22-24-33(25-23-32)49-41-16-7-9-18-43(41)50(44-19-10-8-17-42(44)49)38-27-26-37-28-36-14-5-6-15-39(36)46(37)30-38/h3,5-12,14-27,29-31H,4,13,28H2,1-2H3
InChIKeyLXSIYBOLDHADHE-UHFFFAOYSA-N
MW662.88 g/mol
LogP13.83
Rot. Bonds3

About 1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene

1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene (PubChem CID 144802928) has the molecular formula C52H38 and a molecular weight of 662.88 g/mol. Its IUPAC name is 1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene.

Molecular Properties

Compound Name1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene
PubChem CID144802928
Molecular FormulaC52H38
Molecular Weight662.88 g/mol
Exact Mass662.30
IUPAC Name1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene
SMILESCC1(C)c2cc3c(cc2-c2cccc(-c4ccc(-c5c6ccccc6c(-c6ccc7c(c6)-c6ccccc6C7)c6ccccc56)cc4)c21)C=CCC3
InChIInChI=1S/C52H38/c1-52(2)48-31-35-13-4-3-12-34(35)29-47(48)45-21-11-20-40(51(45)52)32-22-24-33(25-23-32)49-41-16-7-9-18-43(41)50(44-19-10-8-17-42(44)49)38-27-26-37-28-36-14-5-6-15-39(36)46(37)30-38/h3,5-12,14-27,29-31H,4,13,28H2,1-2H3
InChIKeyLXSIYBOLDHADHE-UHFFFAOYSA-N
XLogP13.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.88
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene with MolForge

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Related Compounds

9-[4-methyl-3-(3-methyl-5,6-dihydronaphthalen-2-yl)phenyl]-10-(3-phenylphenyl)anthracene
CID 144703495
10-(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9-(9H-fluoren-2-yl)anthracene
CID 156682573
11,11-dimethyl-1-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 140724534
9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene
CID 168993984
ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 91469252
9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 59866453
9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene
CID 143848174
2-[4-[10-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;11,11-dimethyl-1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene
CID 160587878
11,11-dimethyl-8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
CID 163751276
9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
CID 143619795
2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
CID 144953405
9-(3,5-dimethylphenyl)-10-[4-(9H-fluoren-1-yl)phenyl]anthracene
CID 143811504

Frequently Asked Questions

What is the IUPAC name of 1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene?
The IUPAC name of 1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene (CID 144802928) is 1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene.
What is the SMILES notation for 1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene?
The canonical SMILES for 1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene is CC1(C)c2cc3c(cc2-c2cccc(-c4ccc(-c5c6ccccc6c(-c6ccc7c(c6)-c6ccccc6C7)c6ccccc56)cc4)c21)C=CCC3.
What is the InChIKey of 1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene?
The InChIKey is LXSIYBOLDHADHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38/c1-52(2)48-31-35-13-4-3-12-34(35)29-47(48)45-21-11-20-40(51(45)52)32-22-24-33(25-23-32)49-41-16-7-9-18-43(41)50(44-19-10-8-17-42(44)49)38-27-26-37-28-36-14-5-6-15-39(36)46(37)30-38/h3,5-12,14-27,29-31H,4,13,28H2,1-2H3.
What are the key properties of 1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene?
1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene has a molecular weight of 662.88 g/mol, XLogP of 13.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[10-(9H-fluoren-3-yl)anthracen-9-yl]phenyl]-11,11-dimethyl-8,9-dihydrobenzo[b]fluorene is sourced from PubChem (CID 144802928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).