1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran

C51H34O — CID 129174040

IUPAC1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
SMILESCC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cc3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C51H34O/c1-51(2)44-30-35(26-27-36(44)43-28-33-12-3-4-13-34(33)29-45(43)51)31-22-24-32(25-23-31)48-37-14-5-7-16-39(37)49(40-17-8-6-15-38(40)48)42-19-11-21-47-50(42)41-18-9-10-20-46(41)52-47/h3-30H,1-2H3
InChIKeyDVJJBVJPRDUVMA-UHFFFAOYSA-N
MW662.83 g/mol
LogP14.35
Rot. Bonds3

About 1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran

1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran (PubChem CID 129174040) has the molecular formula C51H34O and a molecular weight of 662.83 g/mol. Its IUPAC name is 1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
PubChem CID129174040
Molecular FormulaC51H34O
Molecular Weight662.83 g/mol
Exact Mass662.26
IUPAC Name1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
SMILESCC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cc3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C51H34O/c1-51(2)44-30-35(26-27-36(44)43-28-33-12-3-4-13-34(33)29-45(43)51)31-22-24-32(25-23-31)48-37-14-5-7-16-39(37)49(40-17-8-6-15-38(40)48)42-19-11-21-47-50(42)41-18-9-10-20-46(41)52-47/h3-30H,1-2H3
InChIKeyDVJJBVJPRDUVMA-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

2-[10-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 144583239
6-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122425961
1-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran;1-[10-(6-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;1-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 165057953
7-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-dibenzofuran-3-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;7-[10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran;7-[10-[4-(9,9-dimethylfluoren-3-yl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 165037000
2,4-di(dibenzofuran-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165090742
6-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162712084
1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran
CID 167347291
1-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran
CID 59196193
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 161035826
1-[10-(3,3-dimethyl-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaen-6-yl)anthracen-9-yl]dibenzofuran
CID 130189975
11-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777590
1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran
CID 158936600

Frequently Asked Questions

What is the IUPAC name of 1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran (CID 129174040) is 1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran is CC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6oc7ccccc7c56)c5ccccc45)cc3)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran?
The InChIKey is DVJJBVJPRDUVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34O/c1-51(2)44-30-35(26-27-36(44)43-28-33-12-3-4-13-34(33)29-45(43)51)31-22-24-32(25-23-31)48-37-14-5-7-16-39(37)49(40-17-8-6-15-38(40)48)42-19-11-21-47-50(42)41-18-9-10-20-46(41)52-47/h3-30H,1-2H3.
What are the key properties of 1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran?
1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-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 1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 129174040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).