N-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine

C59H41NO — CID 155623473

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3c(-c4ccccc4)cc(-c4cccc5ccccc45)cc3-c3cccc4ccccc34)cc21
InChIInChI=1S/C59H41NO/c1-59(2)54-28-12-10-24-48(54)49-32-30-42(36-55(49)59)60(43-31-33-51-50-25-11-13-29-56(50)61-57(51)37-43)58-52(40-16-4-3-5-17-40)34-41(46-26-14-20-38-18-6-8-22-44(38)46)35-53(58)47-27-15-21-39-19-7-9-23-45(39)47/h3-37H,1-2H3
InChIKeyNYTAXVWNXNUWRS-UHFFFAOYSA-N
MW779.98 g/mol
LogP16.67
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine (PubChem CID 155623473) has the molecular formula C59H41NO and a molecular weight of 779.98 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine
PubChem CID155623473
Molecular FormulaC59H41NO
Molecular Weight779.98 g/mol
Exact Mass779.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3c(-c4ccccc4)cc(-c4cccc5ccccc45)cc3-c3cccc4ccccc34)cc21
InChIInChI=1S/C59H41NO/c1-59(2)54-28-12-10-24-48(54)49-32-30-42(36-55(49)59)60(43-31-33-51-50-25-11-13-29-56(50)61-57(51)37-43)58-52(40-16-4-3-5-17-40)34-41(46-26-14-20-38-18-6-8-22-44(38)46)35-53(58)47-27-15-21-39-19-7-9-23-45(39)47/h3-37H,1-2H3
InChIKeyNYTAXVWNXNUWRS-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.98
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 159257913
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[4-(2-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-7-phenylfluoren-2-amine;N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161395009
9,9-dimethyl-N-(2-methyl-4-naphthalen-1-yl-6-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155221158
N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 129256099
N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170542002
7-[4-[4-[dibenzofuran-3-yl-(9,9-dimethylfluoren-2-yl)amino]-3-naphthalen-2-ylphenyl]naphthalen-2-yl]-N-(9,9-dimethylfluoren-2-yl)-N-(2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 155181816
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170675083
N-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 169039560
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170383733
N-chrysen-5-yl-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 170140140
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine (CID 155623473) is N-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3c(-c4ccccc4)cc(-c4cccc5ccccc45)cc3-c3cccc4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is NYTAXVWNXNUWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41NO/c1-59(2)54-28-12-10-24-48(54)49-32-30-42(36-55(49)59)60(43-31-33-51-50-25-11-13-29-56(50)61-57(51)37-43)58-52(40-16-4-3-5-17-40)34-41(46-26-14-20-38-18-6-8-22-44(38)46)35-53(58)47-27-15-21-39-19-7-9-23-45(39)47/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 779.98 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(2,4-dinaphthalen-1-yl-6-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 155623473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).