N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine

C67H43NO2 — CID 176760030

IUPACN-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc3c2-c2ccccc2C3(c2ccccc2)c2cccc(N(c3ccc4oc5cccc(-c6ccccc6)c5c4c3)c3ccc4oc5cccc(-c6ccccc6)c5c4c3)c2)cc1
InChIInChI=1S/C67H43NO2/c1-5-19-44(20-6-1)52-30-16-34-59-64(52)55-29-13-14-33-58(55)67(59,47-25-11-4-12-26-47)48-27-15-28-49(41-48)68(50-37-39-60-56(42-50)65-53(31-17-35-62(65)69-60)45-21-7-2-8-22-45)51-38-40-61-57(43-51)66-54(32-18-36-63(66)70-61)46-23-9-3-10-24-46/h1-43H
InChIKeyFRYNMILOAYTAQK-UHFFFAOYSA-N
MW894.09 g/mol
LogP18.32
Rot. Bonds8

About N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine

N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine (PubChem CID 176760030) has the molecular formula C67H43NO2 and a molecular weight of 894.09 g/mol. Its IUPAC name is N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
PubChem CID176760030
Molecular FormulaC67H43NO2
Molecular Weight894.09 g/mol
Exact Mass893.33
IUPAC NameN-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc3c2-c2ccccc2C3(c2ccccc2)c2cccc(N(c3ccc4oc5cccc(-c6ccccc6)c5c4c3)c3ccc4oc5cccc(-c6ccccc6)c5c4c3)c2)cc1
InChIInChI=1S/C67H43NO2/c1-5-19-44(20-6-1)52-30-16-34-59-64(52)55-29-13-14-33-58(55)67(59,47-25-11-4-12-26-47)48-27-15-28-49(41-48)68(50-37-39-60-56(42-50)65-53(31-17-35-62(65)69-60)45-21-7-2-8-22-45)51-38-40-61-57(43-51)66-54(32-18-36-63(66)70-61)46-23-9-3-10-24-46/h1-43H
InChIKeyFRYNMILOAYTAQK-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-(4,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)-9-pyridin-3-yldibenzofuran-2-amine
CID 176760070
N-[8-(2,6-diphenylphenyl)dibenzofuran-1-yl]-8-phenyl-N-[3-[9-phenyl-4-(8-phenyldibenzofuran-1-yl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176760020
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 159899599
N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 176808426
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
3-dibenzofuran-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 159108609
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119695
N-(4-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 160590087
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
3-N-dibenzofuran-2-yl-1-N-(3,4-diphenylphenyl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine;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 162032569
3-N-dibenzofuran-3-yl-1-N-(9,9-diphenylfluoren-4-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 155096767

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine?
The IUPAC name of N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine (CID 176760030) is N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine?
The canonical SMILES for N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine is c1ccc(-c2cccc3c2-c2ccccc2C3(c2ccccc2)c2cccc(N(c3ccc4oc5cccc(-c6ccccc6)c5c4c3)c3ccc4oc5cccc(-c6ccccc6)c5c4c3)c2)cc1.
What is the InChIKey of N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine?
The InChIKey is FRYNMILOAYTAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NO2/c1-5-19-44(20-6-1)52-30-16-34-59-64(52)55-29-13-14-33-58(55)67(59,47-25-11-4-12-26-47)48-27-15-28-49(41-48)68(50-37-39-60-56(42-50)65-53(31-17-35-62(65)69-60)45-21-7-2-8-22-45)51-38-40-61-57(43-51)66-54(32-18-36-63(66)70-61)46-23-9-3-10-24-46/h1-43H.
What are the key properties of N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine?
N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)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 N-[3-(4,9-diphenylfluoren-9-yl)phenyl]-9-phenyl-N-(9-phenyldibenzofuran-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 176760030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).