11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene

C39H28 — CID 140724897

IUPAC11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cccc21
InChIInChI=1S/C39H28/c1-39(2)34-22-12-21-32(38(34)33-23-26-15-6-7-16-27(26)24-35(33)39)37-30-19-10-8-17-28(30)36(25-13-4-3-5-14-25)29-18-9-11-20-31(29)37/h3-24H,1-2H3
InChIKeyRXUCBMXZEVDNPH-UHFFFAOYSA-N
MW496.65 g/mol
LogP10.79
Rot. Bonds2

About 11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene

11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene (PubChem CID 140724897) has the molecular formula C39H28 and a molecular weight of 496.65 g/mol. Its IUPAC name is 11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene.

Molecular Properties

Compound Name11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene
PubChem CID140724897
Molecular FormulaC39H28
Molecular Weight496.65 g/mol
Exact Mass496.22
IUPAC Name11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cccc21
InChIInChI=1S/C39H28/c1-39(2)34-22-12-21-32(38(34)33-23-26-15-6-7-16-27(26)24-35(33)39)37-30-19-10-8-17-28(30)36(25-13-4-3-5-14-25)29-18-9-11-20-31(29)37/h3-24H,1-2H3
InChIKeyRXUCBMXZEVDNPH-UHFFFAOYSA-N
XLogP10.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 510.79
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

11,11-dimethyl-4-[10-(3-phenylphenyl)anthracen-9-yl]benzo[b]fluorene
CID 140724217
4-[3-[10-(11,11-dimethylbenzo[b]fluoren-4-yl)anthracen-9-yl]phenyl]-2,6-diphenylpyrimidine
CID 176794242
2-[3-[10-(11,11-dimethylbenzo[b]fluoren-4-yl)anthracen-9-yl]phenyl]-4,6-bis(2-phenylphenyl)pyrimidine
CID 176794726
4-[10-(11,11-dimethylbenzo[b]fluoren-4-yl)anthracen-9-yl]-2,6-diphenylpyrimidine
CID 176794260
4-[10-(11,11-dimethylbenzo[b]fluoren-4-yl)anthracen-9-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 176793905
11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene
CID 158156117
9-(9,9-dimethylfluoren-4-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59196441
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
4-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 121421279
4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 121421254
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 165023412
2-[4-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 176793951

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene?
The IUPAC name of 11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene (CID 140724897) is 11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene.
What is the SMILES notation for 11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene?
The canonical SMILES for 11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene is CC1(C)c2cc3ccccc3cc2-c2c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cccc21.
What is the InChIKey of 11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene?
The InChIKey is RXUCBMXZEVDNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28/c1-39(2)34-22-12-21-32(38(34)33-23-26-15-6-7-16-27(26)24-35(33)39)37-30-19-10-8-17-28(30)36(25-13-4-3-5-14-25)29-18-9-11-20-31(29)37/h3-24H,1-2H3.
What are the key properties of 11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene?
11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene has a molecular weight of 496.65 g/mol, XLogP of 10.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene is sourced from PubChem (CID 140724897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).