N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline

C66H49NO — CID 170217743

IUPACN-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)cc21
InChIInChI=1S/C66H49NO/c1-65(2)58-23-10-7-17-52(58)54-40-33-45(41-60(54)65)42-27-34-46(35-28-42)67(48-38-31-44(32-39-48)50-20-14-26-62-63(50)57-19-9-12-25-61(57)68-62)47-36-29-43(30-37-47)49-15-5-6-16-51(49)55-21-13-22-56-53-18-8-11-24-59(53)66(3,4)64(55)56/h5-41H,1-4H3
InChIKeyAQHZDANPGNCTGK-UHFFFAOYSA-N
MW872.12 g/mol
LogP18.34
Rot. Bonds7

About N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline

N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline (PubChem CID 170217743) has the molecular formula C66H49NO and a molecular weight of 872.12 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline
PubChem CID170217743
Molecular FormulaC66H49NO
Molecular Weight872.12 g/mol
Exact Mass871.38
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)cc21
InChIInChI=1S/C66H49NO/c1-65(2)58-23-10-7-17-52(58)54-40-33-45(41-60(54)65)42-27-34-46(35-28-42)67(48-38-31-44(32-39-48)50-20-14-26-62-63(50)57-19-9-12-25-61(57)68-62)47-36-29-43(30-37-47)49-15-5-6-16-51(49)55-21-13-22-56-53-18-8-11-24-59(53)66(3,4)64(55)56/h5-41H,1-4H3
InChIKeyAQHZDANPGNCTGK-UHFFFAOYSA-N
XLogP18.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.12
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-4-phenylaniline
CID 168839661
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline
CID 168839762
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170542002
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
2,3,5,6-tetradeuterio-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-1-ylphenyl)aniline
CID 171451744
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-4-amine
CID 170215746
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788461
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 168771541

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline (CID 170217743) is N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-c5cccc6c5C(C)(C)c5ccccc5-6)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)cc21.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline?
The InChIKey is AQHZDANPGNCTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49NO/c1-65(2)58-23-10-7-17-52(58)54-40-33-45(41-60(54)65)42-27-34-46(35-28-42)67(48-38-31-44(32-39-48)50-20-14-26-62-63(50)57-19-9-12-25-61(57)68-62)47-36-29-43(30-37-47)49-15-5-6-16-51(49)55-21-13-22-56-53-18-8-11-24-59(53)66(3,4)64(55)56/h5-41H,1-4H3.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline?
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline has a molecular weight of 872.12 g/mol, XLogP of 18.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 170217743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).