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

C63H43NO2 — CID 168839577

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)ccc21
InChIInChI=1S/C63H43NO2/c1-63(2)57-15-6-3-10-51(57)56-38-45(29-37-58(56)63)42-20-18-40(19-21-42)41-22-30-47(31-23-41)64(48-32-24-43(25-33-48)46-28-36-54-52-11-4-7-16-59(52)65-61(54)39-46)49-34-26-44(27-35-49)50-13-9-14-55-53-12-5-8-17-60(53)66-62(50)55/h3-39H,1-2H3
InChIKeyQGHKTMLDBAOJDE-UHFFFAOYSA-N
MW846.04 g/mol
LogP17.93
Rot. Bonds7

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

N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline (PubChem CID 168839577) has the molecular formula C63H43NO2 and a molecular weight of 846.04 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
PubChem CID168839577
Molecular FormulaC63H43NO2
Molecular Weight846.04 g/mol
Exact Mass845.33
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)ccc21
InChIInChI=1S/C63H43NO2/c1-63(2)57-15-6-3-10-51(57)56-38-45(29-37-58(56)63)42-20-18-40(19-21-42)41-22-30-47(31-23-41)64(48-32-24-43(25-33-48)46-28-36-54-52-11-4-7-16-59(52)65-61(54)39-46)49-34-26-44(27-35-49)50-13-9-14-55-53-12-5-8-17-60(53)66-62(50)55/h3-39H,1-2H3
InChIKeyQGHKTMLDBAOJDE-UHFFFAOYSA-N
XLogP17.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.04
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839960
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethyl-7-phenylfluoren-3-yl)aniline
CID 168839587
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168840185
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenylaniline
CID 168839392
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159860584
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157103465
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine
CID 118405775
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 159965334
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline (CID 168839577) is N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline is CC1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)ccc21.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline?
The InChIKey is QGHKTMLDBAOJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43NO2/c1-63(2)57-15-6-3-10-51(57)56-38-45(29-37-58(56)63)42-20-18-40(19-21-42)41-22-30-47(31-23-41)64(48-32-24-43(25-33-48)46-28-36-54-52-11-4-7-16-59(52)65-61(54)39-46)49-34-26-44(27-35-49)50-13-9-14-55-53-12-5-8-17-60(53)66-62(50)55/h3-39H,1-2H3.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline?
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline has a molecular weight of 846.04 g/mol, XLogP of 17.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline is sourced from PubChem (CID 168839577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).