2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran

C45H30O — CID 122426146

IUPAC2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C45H30O/c1-45(2)38-23-20-27-11-3-4-12-30(27)44(38)36-22-19-29(26-39(36)45)43-34-16-7-5-14-32(34)42(33-15-6-8-17-35(33)43)28-21-24-41-37(25-28)31-13-9-10-18-40(31)46-41/h3-26H,1-2H3
InChIKeyYZTGIMGBTUNGIM-UHFFFAOYSA-N
MW586.73 g/mol
LogP12.69
Rot. Bonds2

About 2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran

2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran (PubChem CID 122426146) has the molecular formula C45H30O and a molecular weight of 586.73 g/mol. Its IUPAC name is 2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran
PubChem CID122426146
Molecular FormulaC45H30O
Molecular Weight586.73 g/mol
Exact Mass586.23
IUPAC Name2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C45H30O/c1-45(2)38-23-20-27-11-3-4-12-30(27)44(38)36-22-19-29(26-39(36)45)43-34-16-7-5-14-32(34)42(33-15-6-8-17-35(33)43)28-21-24-41-37(25-28)31-13-9-10-18-40(31)46-41/h3-26H,1-2H3
InChIKeyYZTGIMGBTUNGIM-UHFFFAOYSA-N
XLogP12.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.73
LogP ≤ 512.69
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-[4-[10-(7,7-dimethylbenzo[c]fluoren-10-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 121420972
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
9,9-dimethyl-6-(10-naphthalen-2-ylanthracen-9-yl)-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130211763
2-[10-(11,11-dimethylbenzo[a]fluoren-9-yl)anthracen-9-yl]dibenzofuran
CID 122425764
[8-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran-1-yl]-triphenylsilane
CID 156626196
8-(10-dibenzofuran-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;10-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;10-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;8-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 160957556
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-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran
CID 121421003
9,9-dimethyl-6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-16-oxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),17,19,21-undecaene
CID 130211829
2-[10-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 144583239
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
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406

Frequently Asked Questions

What is the IUPAC name of 2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran (CID 122426146) is 2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran is CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is YZTGIMGBTUNGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O/c1-45(2)38-23-20-27-11-3-4-12-30(27)44(38)36-22-19-29(26-39(36)45)43-34-16-7-5-14-32(34)42(33-15-6-8-17-35(33)43)28-21-24-41-37(25-28)31-13-9-10-18-40(31)46-41/h3-26H,1-2H3.
What are the key properties of 2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran?
2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 586.73 g/mol, XLogP of 12.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 122426146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).