7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine

C63H47NO — CID 118052131

IUPAC7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(C3=CC4c5ccccc5OC4C=C3)ccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C63H47NO/c1-63(2)59-40-51(50-28-36-62-58(39-50)57-21-9-10-22-61(57)65-62)27-34-55(59)56-35-33-54(41-60(56)63)64(52-29-23-44(24-30-52)48-19-11-17-46(37-48)42-13-5-3-6-14-42)53-31-25-45(26-32-53)49-20-12-18-47(38-49)43-15-7-4-8-16-43/h3-41,58,62H,1-2H3
InChIKeyZDJLDDNBEHOLEP-UHFFFAOYSA-N
MW834.08 g/mol
LogP16.63
Rot. Bonds8

About 7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine

7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 118052131) has the molecular formula C63H47NO and a molecular weight of 834.08 g/mol. Its IUPAC name is 7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID118052131
Molecular FormulaC63H47NO
Molecular Weight834.08 g/mol
Exact Mass833.37
IUPAC Name7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(C3=CC4c5ccccc5OC4C=C3)ccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C63H47NO/c1-63(2)59-40-51(50-28-36-62-58(39-50)57-21-9-10-22-61(57)65-62)27-34-55(59)56-35-33-54(41-60(56)63)64(52-29-23-44(24-30-52)48-19-11-17-46(37-48)42-13-5-3-6-14-42)53-31-25-45(26-32-53)49-20-12-18-47(38-49)43-15-7-4-8-16-43/h3-41,58,62H,1-2H3
InChIKeyZDJLDDNBEHOLEP-UHFFFAOYSA-N
XLogP16.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.08
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 121321717
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58939361
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
N-[4-(4a,9b-dihydrodibenzofuran-3-yl)phenyl]-7-phenyl-N-[4-(4-phenylphenyl)phenyl]bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine
CID 166777333
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine
CID 168855932

Frequently Asked Questions

What is the IUPAC name of 7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine (CID 118052131) is 7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2cc(C3=CC4c5ccccc5OC4C=C3)ccc2-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc21.
What is the InChIKey of 7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is ZDJLDDNBEHOLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47NO/c1-63(2)59-40-51(50-28-36-62-58(39-50)57-21-9-10-22-61(57)65-62)27-34-55(59)56-35-33-54(41-60(56)63)64(52-29-23-44(24-30-52)48-19-11-17-46(37-48)42-13-5-3-6-14-42)53-31-25-45(26-32-53)49-20-12-18-47(38-49)43-15-7-4-8-16-43/h3-41,58,62H,1-2H3.
What are the key properties of 7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 834.08 g/mol, XLogP of 16.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4a,9b-dihydrodibenzofuran-2-yl)-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 118052131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).