N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine

C68H43NO2 — CID 140919850

IUPACN-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccc4c(c3)-c3cc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)ccc3C4(c3ccccc3)c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C68H43NO2/c1-4-18-44(19-5-1)67(45-20-6-2-7-21-45)61-38-32-47(68(46-22-8-3-9-23-46)59-28-14-10-24-51(59)52-25-11-15-29-60(52)68)40-57(61)58-41-48(35-39-62(58)67)69(49-33-36-55-53-26-12-16-30-63(53)70-65(55)42-49)50-34-37-56-54-27-13-17-31-64(54)71-66(56)43-50/h1-43H
InChIKeyYJHBUXHOSRGJFJ-UHFFFAOYSA-N
MW906.10 g/mol
LogP17.68
Rot. Bonds7

About N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine

N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine (PubChem CID 140919850) has the molecular formula C68H43NO2 and a molecular weight of 906.10 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine
PubChem CID140919850
Molecular FormulaC68H43NO2
Molecular Weight906.10 g/mol
Exact Mass905.33
IUPAC NameN-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccc4c(c3)-c3cc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)ccc3C4(c3ccccc3)c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C68H43NO2/c1-4-18-44(19-5-1)67(45-20-6-2-7-21-45)61-38-32-47(68(46-22-8-3-9-23-46)59-28-14-10-24-51(59)52-25-11-15-29-60(52)68)40-57(61)58-41-48(35-39-62(58)67)69(49-33-36-55-53-26-12-16-30-63(53)70-65(55)42-49)50-34-37-56-54-27-13-17-31-64(54)71-66(56)43-50/h1-43H
InChIKeyYJHBUXHOSRGJFJ-UHFFFAOYSA-N
XLogP17.68
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.10
LogP ≤ 517.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine
CID 140919912
N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121423669
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-3-N-(9,9-diphenylfluoren-2-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
CID 155312532
N-(9,9-diphenylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790790
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
N-phenyl-N-[4-(14-phenyl-6-oxatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-14-yl)phenyl]dibenzofuran-3-amine
CID 129230912
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-(10,10-diphenyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-N-phenyldibenzofuran-3-amine
CID 168740238
N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N,9,9-triphenylfluoren-2-amine
CID 134452942
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
CID 121400530
3-N-dibenzofuran-2-yl-3-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine;3-N-dibenzofuran-3-yl-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-3-yl-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157167545

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine (CID 140919850) is N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine is c1ccc(C2(c3ccc4c(c3)-c3cc(N(c5ccc6c(c5)oc5ccccc56)c5ccc6c(c5)oc5ccccc56)ccc3C4(c3ccccc3)c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine?
The InChIKey is YJHBUXHOSRGJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NO2/c1-4-18-44(19-5-1)67(45-20-6-2-7-21-45)61-38-32-47(68(46-22-8-3-9-23-46)59-28-14-10-24-51(59)52-25-11-15-29-60(52)68)40-57(61)58-41-48(35-39-62(58)67)69(49-33-36-55-53-26-12-16-30-63(53)70-65(55)42-49)50-34-37-56-54-27-13-17-31-64(54)71-66(56)43-50/h1-43H.
What are the key properties of N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine?
N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine has a molecular weight of 906.10 g/mol, XLogP of 17.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine is sourced from PubChem (CID 140919850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).