2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene

C96H66O — CID 157414315

IUPAC2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
SMILESCC1(C)c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)c2-c2c1ccc1ccccc21.CC1(C)c2cccc(-c3cccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)c3)c2-c2c1ccc1ccccc21
InChIInChI=1S/C51H34O.C45H32/c1-51(2)43-23-12-22-36(50(43)49-35-16-4-3-13-31(35)25-27-44(49)51)32-14-11-15-33(29-32)47-38-18-5-7-20-40(38)48(41-21-8-6-19-39(41)47)34-26-28-46-42(30-34)37-17-9-10-24-45(37)52-46;1-45(2)39-25-13-24-38(44(39)43-33-19-7-6-16-30(33)26-27-40(43)45)42-36-22-10-8-20-34(36)41(35-21-9-11-23-37(35)42)32-18-12-17-31(28-32)29-14-4-3-5-15-29/h3-30H,1-2H3;3-28H,1-2H3
InChIKeyBOQVQTFWGUVRIQ-UHFFFAOYSA-N
MW1235.58 g/mol
LogP26.81
Rot. Bonds6

About 2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene

2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene (PubChem CID 157414315) has the molecular formula C96H66O and a molecular weight of 1235.58 g/mol. Its IUPAC name is 2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene.

Molecular Properties

Compound Name2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
PubChem CID157414315
Molecular FormulaC96H66O
Molecular Weight1235.58 g/mol
Exact Mass1234.51
IUPAC Name2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
SMILESCC1(C)c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)c2-c2c1ccc1ccccc21.CC1(C)c2cccc(-c3cccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)c3)c2-c2c1ccc1ccccc21
InChIInChI=1S/C51H34O.C45H32/c1-51(2)43-23-12-22-36(50(43)49-35-16-4-3-13-31(35)25-27-44(49)51)32-14-11-15-33(29-32)47-38-18-5-7-20-40(38)48(41-21-8-6-19-39(41)47)34-26-28-46-42(30-34)37-17-9-10-24-45(37)52-46;1-45(2)39-25-13-24-38(44(39)43-33-19-7-6-16-30(33)26-27-40(43)45)42-36-22-10-8-20-34(36)41(35-21-9-11-23-37(35)42)32-18-12-17-31(28-32)29-14-4-3-5-15-29/h3-30H,1-2H3;3-28H,1-2H3
InChIKeyBOQVQTFWGUVRIQ-UHFFFAOYSA-N
XLogP26.81
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001235.58
LogP ≤ 526.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene with MolForge

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Related Compounds

2-[3-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[c]fluoren-11-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 159493437
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
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 121421272
2-[10-[3-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]anthracen-9-yl]dibenzofuran;8-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-7,7-dimethylbenzo[c]fluorene
CID 158955634
2-[4-[10-(7,7-dimethylbenzo[c]fluoren-10-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 121420972
7,7-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724375
7,7-dimethyl-9-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene;6-phenyl-16-(10-phenylanthracen-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene;6,6,12,12-tetramethyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b]fluorene
CID 158585976
2-[2-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran
CID 121421149
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
2-[2-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]phenyl]dibenzofuran;7,7-dimethyl-8-(10-phenanthren-2-ylanthracen-9-yl)benzo[c]fluorene
CID 158635217
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-2-phenylanthracene;2,10-dinaphthalen-1-yl-9-naphthalen-2-ylanthracene;2-naphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene;2-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)dibenzofuran
CID 160716890

Frequently Asked Questions

What is the IUPAC name of 2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene?
The IUPAC name of 2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene (CID 157414315) is 2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene.
What is the SMILES notation for 2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene?
The canonical SMILES for 2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene is CC1(C)c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)c2-c2c1ccc1ccccc21.CC1(C)c2cccc(-c3cccc(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)c3)c2-c2c1ccc1ccccc21.
What is the InChIKey of 2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene?
The InChIKey is BOQVQTFWGUVRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34O.C45H32/c1-51(2)43-23-12-22-36(50(43)49-35-16-4-3-13-31(35)25-27-44(49)51)32-14-11-15-33(29-32)47-38-18-5-7-20-40(38)48(41-21-8-6-19-39(41)47)34-26-28-46-42(30-34)37-17-9-10-24-45(37)52-46;1-45(2)39-25-13-24-38(44(39)43-33-19-7-6-16-30(33)26-27-40(43)45)42-36-22-10-8-20-34(36)41(35-21-9-11-23-37(35)42)32-18-12-17-31(28-32)29-14-4-3-5-15-29/h3-30H,1-2H3;3-28H,1-2H3.
What are the key properties of 2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene?
2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene has a molecular weight of 1235.58 g/mol, XLogP of 26.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene is sourced from PubChem (CID 157414315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).