9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine

C67H43NO2 — CID 176759858

IUPAC9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccc(-c6ccccc6)cc54)cc3)c3ccc4oc5cccc(-c6cccc7oc8ccccc8c67)c5c4c3)cc2)cc1
InChIInChI=1S/C67H43NO2/c1-4-16-44(17-5-1)46-30-35-50(36-31-46)68(52-39-41-62-58(43-52)66-56(25-15-29-64(66)70-62)55-24-14-28-63-65(55)57-23-11-13-27-61(57)69-63)51-37-33-49(34-38-51)67(48-20-8-3-9-21-48)59-26-12-10-22-53(59)54-40-32-47(42-60(54)67)45-18-6-2-7-19-45/h1-43H
InChIKeyYCKAOGBYIFBGRO-UHFFFAOYSA-N
MW894.09 g/mol
LogP18.32
Rot. Bonds8

About 9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine

9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 176759858) has the molecular formula C67H43NO2 and a molecular weight of 894.09 g/mol. Its IUPAC name is 9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID176759858
Molecular FormulaC67H43NO2
Molecular Weight894.09 g/mol
Exact Mass893.33
IUPAC Name9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccc(-c6ccccc6)cc54)cc3)c3ccc4oc5cccc(-c6cccc7oc8ccccc8c67)c5c4c3)cc2)cc1
InChIInChI=1S/C67H43NO2/c1-4-16-44(17-5-1)46-30-35-50(36-31-46)68(52-39-41-62-58(43-52)66-56(25-15-29-64(66)70-62)55-24-14-28-63-65(55)57-23-11-13-27-61(57)69-63)51-37-33-49(34-38-51)67(48-20-8-3-9-21-48)59-26-12-10-22-53(59)54-40-32-47(42-60(54)67)45-18-6-2-7-19-45/h1-43H
InChIKeyYCKAOGBYIFBGRO-UHFFFAOYSA-N
XLogP18.32
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.09
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
N-(4-dibenzofuran-2-ylphenyl)-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675340
N-(9,9-diphenylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050339
N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163432313
3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096723
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-spiro[fluorene-9,9'-thioxanthene]-2-ylaniline
CID 168793800

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 176759858) is 9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccc(-c6ccccc6)cc54)cc3)c3ccc4oc5cccc(-c6cccc7oc8ccccc8c67)c5c4c3)cc2)cc1.
What is the InChIKey of 9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is YCKAOGBYIFBGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NO2/c1-4-16-44(17-5-1)46-30-35-50(36-31-46)68(52-39-41-62-58(43-52)66-56(25-15-29-64(66)70-62)55-24-14-28-63-65(55)57-23-11-13-27-61(57)69-63)51-37-33-49(34-38-51)67(48-20-8-3-9-21-48)59-26-12-10-22-53(59)54-40-32-47(42-60(54)67)45-18-6-2-7-19-45/h1-43H.
What are the key properties of 9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 894.09 g/mol, XLogP of 18.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 176759858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).