N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine

C62H43NO — CID 163701550

IUPACN-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5cc(C6(c7ccccc7)c7ccccc7-c7ccc8ccccc8c76)ccc5c34)cc21
InChIInChI=1S/C62H43NO/c1-61(2)53-24-13-11-22-48(53)50-37-34-46(39-55(50)61)63(45-32-28-41(29-33-45)40-16-5-3-6-17-40)56-26-15-27-57-59(56)52-36-31-44(38-58(52)64-57)62(43-19-7-4-8-20-43)54-25-14-12-23-49(54)51-35-30-42-18-9-10-21-47(42)60(51)62/h3-39H,1-2H3
InChIKeyBOQKJQFMKQKNJK-UHFFFAOYSA-N
MW818.03 g/mol
LogP16.55
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine

N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 163701550) has the molecular formula C62H43NO and a molecular weight of 818.03 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID163701550
Molecular FormulaC62H43NO
Molecular Weight818.03 g/mol
Exact Mass817.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5cc(C6(c7ccccc7)c7ccccc7-c7ccc8ccccc8c76)ccc5c34)cc21
InChIInChI=1S/C62H43NO/c1-61(2)53-24-13-11-22-48(53)50-37-34-46(39-55(50)61)63(45-32-28-41(29-33-45)40-16-5-3-6-17-40)56-26-15-27-57-59(56)52-36-31-44(38-58(52)64-57)62(43-19-7-4-8-20-43)54-25-14-12-23-49(54)51-35-30-42-18-9-10-21-47(42)60(51)62/h3-39H,1-2H3
InChIKeyBOQKJQFMKQKNJK-UHFFFAOYSA-N
XLogP16.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.03
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine with MolForge

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Related Compounds

7-(11-phenylbenzo[a]fluoren-11-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-[9-(3-phenylphenyl)fluoren-9-yl]dibenzofuran-3-amine
CID 163721882
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771
N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
N-(9,9-dimethylfluoren-2-yl)-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 167309850
N-(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163926045
3-N-dibenzofuran-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 147012839
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 161172662
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine
CID 155312876
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022235
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-7-[9-(3-phenylphenyl)fluoren-9-yl]dibenzofuran-3-amine;N-phenyl-N-(4-phenylphenyl)-3-[7-[9-(3-phenylphenyl)fluoren-9-yl]dibenzofuran-3-yl]aniline
CID 163450509
N-[4-[6-(9,9-diphenylfluoren-1-yl)dibenzofuran-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164724652

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 163701550) is N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5cc(C6(c7ccccc7)c7ccccc7-c7ccc8ccccc8c76)ccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is BOQKJQFMKQKNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NO/c1-61(2)53-24-13-11-22-48(53)50-37-34-46(39-55(50)61)63(45-32-28-41(29-33-45)40-16-5-3-6-17-40)56-26-15-27-57-59(56)52-36-31-44(38-58(52)64-57)62(43-19-7-4-8-20-43)54-25-14-12-23-49(54)51-35-30-42-18-9-10-21-47(42)60(51)62/h3-39H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-(9,9-dimethylfluoren-2-yl)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 818.03 g/mol, XLogP of 16.55, 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)-7-(11-phenylbenzo[a]fluoren-11-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 163701550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).