4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran

C51H34O — CID 121421254

IUPAC4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc45)cc3)cccc21
InChIInChI=1S/C51H34O/c1-51(2)44-23-12-20-35(49(44)43-29-33-13-3-4-14-34(33)30-45(43)51)31-25-27-32(28-26-31)47-37-16-5-7-18-39(37)48(40-19-8-6-17-38(40)47)42-22-11-21-41-36-15-9-10-24-46(36)52-50(41)42/h3-30H,1-2H3
InChIKeyNUKZZPOQKDSEGY-UHFFFAOYSA-N
MW662.83 g/mol
LogP14.35
Rot. Bonds3

About 4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran

4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran (PubChem CID 121421254) has the molecular formula C51H34O and a molecular weight of 662.83 g/mol. Its IUPAC name is 4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran
PubChem CID121421254
Molecular FormulaC51H34O
Molecular Weight662.83 g/mol
Exact Mass662.26
IUPAC Name4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc45)cc3)cccc21
InChIInChI=1S/C51H34O/c1-51(2)44-23-12-20-35(49(44)43-29-33-13-3-4-14-34(33)30-45(43)51)31-25-27-32(28-26-31)47-37-16-5-7-18-39(37)48(40-19-8-6-17-38(40)47)42-22-11-21-41-36-15-9-10-24-46(36)52-50(41)42/h3-30H,1-2H3
InChIKeyNUKZZPOQKDSEGY-UHFFFAOYSA-N
XLogP14.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.83
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 121421279
2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 121421272
4-[10-(11,11-dimethylbenzo[h]fluoren-1-yl)anthracen-9-yl]dibenzofuran
CID 121421222
11,11-dimethyl-4-(10-phenylanthracen-9-yl)benzo[b]fluorene
CID 140724897
4-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176793640
4-[3-dibenzofuran-4-yl-5-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 176794939
4-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;4-[3-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;7,7-dimethyl-11-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 159882490
4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195065
9,9-dimethyl-6-(10-naphthalen-1-ylanthracen-9-yl)-15-oxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3(8),4,6,11,14(22),16,18,20,23-undecaene
CID 163661774
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 161122993
4-[10-(7,7-dimethylbenzo[c]fluoren-10-yl)anthracen-9-yl]dibenzofuran;7,7-dimethyl-10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-10-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 158906076
4-(6-dibenzofuran-4-ylnaphthalen-2-yl)-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176794281

Frequently Asked Questions

What is the IUPAC name of 4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran (CID 121421254) is 4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran is CC1(C)c2cc3ccccc3cc2-c2c(-c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc45)cc3)cccc21.
What is the InChIKey of 4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran?
The InChIKey is NUKZZPOQKDSEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34O/c1-51(2)44-23-12-20-35(49(44)43-29-33-13-3-4-14-34(33)30-45(43)51)31-25-27-32(28-26-31)47-37-16-5-7-18-39(37)48(40-19-8-6-17-38(40)47)42-22-11-21-41-36-15-9-10-24-46(36)52-50(41)42/h3-30H,1-2H3.
What are the key properties of 4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran?
4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran has a molecular weight of 662.83 g/mol, XLogP of 14.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 121421254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).