2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran

C61H52O — CID 144613856

IUPAC2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran
SMILESCC(c1ccc2c(c1)C(C)(C)c1cc(CCC(Cc3ccc4oc5ccccc5c4c3)c3ccccc3)c3ccccc3c1-2)C(Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C61H52O/c1-40(54(44-19-8-5-9-20-44)37-47-23-16-22-43-21-10-11-24-49(43)47)45-32-33-53-56(38-45)61(2,3)57-39-48(50-25-12-13-27-52(50)60(53)57)31-30-46(42-17-6-4-7-18-42)35-41-29-34-59-55(36-41)51-26-14-15-28-58(51)62-59/h4-29,32-34,36,38-40,46,54H,30-31,35,37H2,1-3H3
InChIKeyKFRUAYPDTQLJMH-UHFFFAOYSA-N
MW801.09 g/mol
LogP16.29
Rot. Bonds11

About 2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran

2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran (PubChem CID 144613856) has the molecular formula C61H52O and a molecular weight of 801.09 g/mol. Its IUPAC name is 2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran.

Molecular Properties

Compound Name2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran
PubChem CID144613856
Molecular FormulaC61H52O
Molecular Weight801.09 g/mol
Exact Mass800.40
IUPAC Name2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran
SMILESCC(c1ccc2c(c1)C(C)(C)c1cc(CCC(Cc3ccc4oc5ccccc5c4c3)c3ccccc3)c3ccccc3c1-2)C(Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C61H52O/c1-40(54(44-19-8-5-9-20-44)37-47-23-16-22-43-21-10-11-24-49(43)47)45-32-33-53-56(38-45)61(2,3)57-39-48(50-25-12-13-27-52(50)60(53)57)31-30-46(42-17-6-4-7-18-42)35-41-29-34-59-55(36-41)51-26-14-15-28-58(51)62-59/h4-29,32-34,36,38-40,46,54H,30-31,35,37H2,1-3H3
InChIKeyKFRUAYPDTQLJMH-UHFFFAOYSA-N
XLogP16.29
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.09
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[3-(9,10-dihydrophenanthren-2-yl)-3-phenylpropyl]-7,7-dimethyl-9-[4-(2-methyl-5-naphthalen-1-ylphenyl)-3-phenylbutan-2-yl]benzo[c]fluorene
CID 144614441
N-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine
CID 163737068
7,7-dimethyl-10-[4-(1-naphthalen-1-yl-3-phenylpropan-2-yl)phenyl]fluoreno[2,3-b][1]benzofuran
CID 137420721
2-[4-[3-[9-(3-dibenzofuran-2-yl-4-phenylbutan-2-yl)-7,7-diphenylbenzo[c]fluoren-5-yl]-1-(4-methylphenyl)propyl]phenyl]pyridine
CID 144613859
8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene
CID 144614284
2-(2-phenyl-3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-2-ylpropyl)dibenzofuran
CID 142294412
2-[10-(7,7-dimethylbenzo[g]fluoren-9-yl)anthracen-9-yl]dibenzofuran
CID 122426146
7,7-dimethyl-5-[(Z)-3-(9-methylidenefluoren-1-yl)-2-phenylprop-2-enyl]-9-(2-naphthalen-1-yl-2-phenylethyl)benzo[c]fluorene
CID 144614186
1-[3-[5-[3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propyl]-7,7-diphenylbenzo[g]fluoren-9-yl]-1-(4-prop-2-enylphenyl)butan-2-yl]dibenzofuran
CID 144614645
3-[3-[7,7-dimethyl-5-[2-(4-phenyl-9H-fluoren-9-yl)ethyl]benzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]dibenzothiophene
CID 144613576
1-dibenzofuran-2-ylpropan-2-amine
CID 42647881
2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
CID 59136781

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran?
The IUPAC name of 2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran (CID 144613856) is 2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran.
What is the SMILES notation for 2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran?
The canonical SMILES for 2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran is CC(c1ccc2c(c1)C(C)(C)c1cc(CCC(Cc3ccc4oc5ccccc5c4c3)c3ccccc3)c3ccccc3c1-2)C(Cc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran?
The InChIKey is KFRUAYPDTQLJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H52O/c1-40(54(44-19-8-5-9-20-44)37-47-23-16-22-43-21-10-11-24-49(43)47)45-32-33-53-56(38-45)61(2,3)57-39-48(50-25-12-13-27-52(50)60(53)57)31-30-46(42-17-6-4-7-18-42)35-41-29-34-59-55(36-41)51-26-14-15-28-58(51)62-59/h4-29,32-34,36,38-40,46,54H,30-31,35,37H2,1-3H3.
What are the key properties of 2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran?
2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran has a molecular weight of 801.09 g/mol, XLogP of 16.29, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran is sourced from PubChem (CID 144613856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).