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

C72H62O — CID 144614645

IUPAC1-[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
SMILESC=CCc1ccc(CC(c2cccc3oc4ccccc4c23)C(C)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(CCC(c4ccc(C)cc4)c4ccc(C)c(C)c4)c4ccccc4c2-3)cc1
InChIInChI=1S/C72H62O/c1-6-18-51-32-34-52(35-33-51)44-65(62-26-17-28-69-71(62)64-25-15-16-27-68(64)73-69)50(5)54-39-42-63-66(45-54)72(57-19-9-7-10-20-57,58-21-11-8-12-22-58)67-46-56(60-23-13-14-24-61(60)70(63)67)40-41-59(53-36-29-47(2)30-37-53)55-38-31-48(3)49(4)43-55/h6-17,19-39,42-43,45-46,50,59,65H,1,18,40-41,44H2,2-5H3
InChIKeyWFTFRHKJTGYUKN-UHFFFAOYSA-N
MW943.29 g/mol
LogP18.65
Rot. Bonds14

About 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

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 (PubChem CID 144614645) has the molecular formula C72H62O and a molecular weight of 943.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID144614645
Molecular FormulaC72H62O
Molecular Weight943.29 g/mol
Exact Mass942.48
IUPAC Name1-[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
SMILESC=CCc1ccc(CC(c2cccc3oc4ccccc4c23)C(C)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(CCC(c4ccc(C)cc4)c4ccc(C)c(C)c4)c4ccccc4c2-3)cc1
InChIInChI=1S/C72H62O/c1-6-18-51-32-34-52(35-33-51)44-65(62-26-17-28-69-71(62)64-25-15-16-27-68(64)73-69)50(5)54-39-42-63-66(45-54)72(57-19-9-7-10-20-57,58-21-11-8-12-22-58)67-46-56(60-23-13-14-24-61(60)70(63)67)40-41-59(53-36-29-47(2)30-37-53)55-38-31-48(3)49(4)43-55/h6-17,19-39,42-43,45-46,50,59,65H,1,18,40-41,44H2,2-5H3
InChIKeyWFTFRHKJTGYUKN-UHFFFAOYSA-N
XLogP18.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.29
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran
CID 144613856
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
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
1-[1-(5-methyl-7,7-diphenylbenzo[g]fluoren-9-yl)propan-2-yl]dibenzothiophene
CID 144614094
N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine
CID 144614268
1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran
CID 164529127
N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 177287521
2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran;9-methyl-N-(4-methylphenyl)-N-naphthalen-1-yl-7,7-diphenylbenzo[c]fluoren-5-amine;toluene
CID 144614123
15-[2-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-1-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
CID 146439468
1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran
CID 155333308
7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine
CID 171401986

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CCc1ccc(CC(c2cccc3oc4ccccc4c23)C(C)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(CCC(c4ccc(C)cc4)c4ccc(C)c(C)c4)c4ccccc4c2-3)cc1.
What is the InChIKey of 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?
The InChIKey is WFTFRHKJTGYUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H62O/c1-6-18-51-32-34-52(35-33-51)44-65(62-26-17-28-69-71(62)64-25-15-16-27-68(64)73-69)50(5)54-39-42-63-66(45-54)72(57-19-9-7-10-20-57,58-21-11-8-12-22-58)67-46-56(60-23-13-14-24-61(60)70(63)67)40-41-59(53-36-29-47(2)30-37-53)55-38-31-48(3)49(4)43-55/h6-17,19-39,42-43,45-46,50,59,65H,1,18,40-41,44H2,2-5H3.
What are the key properties of 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?
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 has a molecular weight of 943.29 g/mol, XLogP of 18.65, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144614645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).