N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline

C60H45NO — CID 162510720

IUPACN-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)c3)c21
InChIInChI=1S/C60H45NO/c1-59(2)53-26-8-5-19-47(53)51-24-13-22-45(57(51)59)40-15-11-17-43(35-40)61(42-32-29-38(30-33-42)39-31-34-50-49-21-7-10-28-55(49)62-56(50)37-39)44-18-12-16-41(36-44)46-23-14-25-52-48-20-6-9-27-54(48)60(3,4)58(46)52/h5-37H,1-4H3
InChIKeyKUIJZTDZGCYMOL-UHFFFAOYSA-N
MW796.03 g/mol
LogP16.67
Rot. Bonds6

About N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline

N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline (PubChem CID 162510720) has the molecular formula C60H45NO and a molecular weight of 796.03 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
PubChem CID162510720
Molecular FormulaC60H45NO
Molecular Weight796.03 g/mol
Exact Mass795.35
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)c3)c21
InChIInChI=1S/C60H45NO/c1-59(2)53-26-8-5-19-47(53)51-24-13-22-45(57(51)59)40-15-11-17-43(35-40)61(42-32-29-38(30-33-42)39-31-34-50-49-21-7-10-28-55(49)62-56(50)37-39)44-18-12-16-41(36-44)46-23-14-25-52-48-20-6-9-27-54(48)60(3,4)58(46)52/h5-37H,1-4H3
InChIKeyKUIJZTDZGCYMOL-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.03
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323768
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 168771541
N-(3-phenylphenyl)-N-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-11-yl)dibenzofuran-3-amine
CID 156573132
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
N-[4-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 70808654
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-[4-[4-[3-[4-[7-[4-(4-dibenzofuran-3-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 139504762
N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293247

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline (CID 162510720) is N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline is CC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)c3)c21.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
The InChIKey is KUIJZTDZGCYMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NO/c1-59(2)53-26-8-5-19-47(53)51-24-13-22-45(57(51)59)40-15-11-17-43(35-40)61(42-32-29-38(30-33-42)39-31-34-50-49-21-7-10-28-55(49)62-56(50)37-39)44-18-12-16-41(36-44)46-23-14-25-52-48-20-6-9-27-54(48)60(3,4)58(46)52/h5-37H,1-4H3.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline?
N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline has a molecular weight of 796.03 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-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline is sourced from PubChem (CID 162510720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).