N-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine

C60H39NO2 — CID 177098935

IUPACN-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6ccoc6c4-5)c4ccc5occc5c4)cc32)cc1
InChIInChI=1S/C60H39NO2/c1-5-15-42(16-6-1)59(43-17-7-2-8-18-43)52-24-14-13-23-49(52)50-29-26-47(38-54(50)59)61(46-28-32-56-41(37-46)34-35-62-56)48-27-30-51-55(39-48)60(44-19-9-3-10-20-44,45-21-11-4-12-22-45)53-31-25-40-33-36-63-58(40)57(51)53/h1-39H
InChIKeyWZTLICNEIMFVHB-UHFFFAOYSA-N
MW805.98 g/mol
LogP15.38
Rot. Bonds7

About N-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine

N-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine (PubChem CID 177098935) has the molecular formula C60H39NO2 and a molecular weight of 805.98 g/mol. Its IUPAC name is N-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine.

Molecular Properties

Compound NameN-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine
PubChem CID177098935
Molecular FormulaC60H39NO2
Molecular Weight805.98 g/mol
Exact Mass805.30
IUPAC NameN-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6ccoc6c4-5)c4ccc5occc5c4)cc32)cc1
InChIInChI=1S/C60H39NO2/c1-5-15-42(16-6-1)59(43-17-7-2-8-18-43)52-24-14-13-23-49(52)50-29-26-47(38-54(50)59)61(46-28-32-56-41(37-46)34-35-62-56)48-27-30-51-55(39-48)60(44-19-9-3-10-20-44,45-21-11-4-12-22-45)53-31-25-40-33-36-63-58(40)57(51)53/h1-39H
InChIKeyWZTLICNEIMFVHB-UHFFFAOYSA-N
XLogP15.38
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.98
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine
CID 177098867
N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine
CID 177098995
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-2-phenyl-1-benzofuran-5-amine
CID 177099010
N-(9,9-diphenylfluoren-3-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121423646
N-[6-(1-benzofuran-5-yl)-9,9-diphenylfluoren-3-yl]-N-(9,9-diphenylfluoren-3-yl)-1-benzothiophen-5-amine
CID 177098730
6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033580
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine?
The IUPAC name of N-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine (CID 177098935) is N-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine.
What is the SMILES notation for N-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine?
The canonical SMILES for N-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6ccoc6c4-5)c4ccc5occc5c4)cc32)cc1.
What is the InChIKey of N-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine?
The InChIKey is WZTLICNEIMFVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO2/c1-5-15-42(16-6-1)59(43-17-7-2-8-18-43)52-24-14-13-23-49(52)50-29-26-47(38-54(50)59)61(46-28-32-56-41(37-46)34-35-62-56)48-27-30-51-55(39-48)60(44-19-9-3-10-20-44,45-21-11-4-12-22-45)53-31-25-40-33-36-63-58(40)57(51)53/h1-39H.
What are the key properties of N-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine?
N-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine has a molecular weight of 805.98 g/mol, XLogP of 15.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-5-yl)-N-(9,9-diphenylfluoren-2-yl)-6,6-diphenylindeno[2,1-g][1]benzofuran-8-amine is sourced from PubChem (CID 177098935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).