10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran

C56H42O — CID 170301738

IUPAC10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2ccc(C(CCc3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(-c6ccc7ccccc7c6)c6ccccc6c5c4c3)cc21
InChIInChI=1S/C56H42O/c1-56(2)51-19-11-10-17-46(51)47-30-27-43(34-52(47)56)44(29-22-36-20-23-39(24-21-36)37-12-4-3-5-13-37)42-28-31-53-50(33-42)55-48-18-9-8-16-45(48)49(35-54(55)57-53)41-26-25-38-14-6-7-15-40(38)32-41/h3-21,23-28,30-35,44H,22,29H2,1-2H3
InChIKeySZJGOIORLGIOTL-UHFFFAOYSA-N
MW730.95 g/mol
LogP15.30
Rot. Bonds7

About 10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran

10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran (PubChem CID 170301738) has the molecular formula C56H42O and a molecular weight of 730.95 g/mol. Its IUPAC name is 10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran
PubChem CID170301738
Molecular FormulaC56H42O
Molecular Weight730.95 g/mol
Exact Mass730.32
IUPAC Name10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2ccc(C(CCc3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(-c6ccc7ccccc7c6)c6ccccc6c5c4c3)cc21
InChIInChI=1S/C56H42O/c1-56(2)51-19-11-10-17-46(51)47-30-27-43(34-52(47)56)44(29-22-36-20-23-39(24-21-36)37-12-4-3-5-13-37)42-28-31-53-50(33-42)55-48-18-9-8-16-45(48)49(35-54(55)57-53)41-26-25-38-14-6-7-15-40(38)32-41/h3-21,23-28,30-35,44H,22,29H2,1-2H3
InChIKeySZJGOIORLGIOTL-UHFFFAOYSA-N
XLogP15.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.95
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 59136925
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 159656584
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)phenyl]-7-phenylfluoren-2-amine
CID 67964174
2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethyl-4-phenylindeno[1,2-b]fluorene
CID 142541185
7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7,15-bis(4-naphthalen-2-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-15-naphthalen-2-yl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene;7-(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-naphthalen-1-ylphenyl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-(4-phenylnaphthalen-1-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene;7-phenyl-15-(9,9'-spirobi[fluorene]-4'-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 159176161
2-[3-[(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136691
8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-naphthalen-2-ylbenzo[c]phenanthrene
CID 59282421
4-chloro-2-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-6,6,12,12-tetramethylindeno[1,2-b]fluorene
CID 138455798
7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 118145607
9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
CID 170035951
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 157215739
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 10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran?
The IUPAC name of 10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran (CID 170301738) is 10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran?
The canonical SMILES for 10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran is CC1(C)c2ccccc2-c2ccc(C(CCc3ccc(-c4ccccc4)cc3)c3ccc4oc5cc(-c6ccc7ccccc7c6)c6ccccc6c5c4c3)cc21.
What is the InChIKey of 10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran?
The InChIKey is SZJGOIORLGIOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42O/c1-56(2)51-19-11-10-17-46(51)47-30-27-43(34-52(47)56)44(29-22-36-20-23-39(24-21-36)37-12-4-3-5-13-37)42-28-31-53-50(33-42)55-48-18-9-8-16-45(48)49(35-54(55)57-53)41-26-25-38-14-6-7-15-40(38)32-41/h3-21,23-28,30-35,44H,22,29H2,1-2H3.
What are the key properties of 10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran?
10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran has a molecular weight of 730.95 g/mol, XLogP of 15.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-(9,9-dimethylfluoren-2-yl)-3-(4-phenylphenyl)propyl]-5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 170301738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).