N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine

C71H43NO2 — CID 121383308

IUPACN-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)cc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C71H43NO2/c1-2-16-46-42-51(36-33-44(46)15-1)72(52-37-38-58-57-19-5-10-28-65(57)71(66(58)43-52)63-26-8-3-17-55(63)56-18-4-9-27-64(56)71)50-34-31-45(32-35-50)47-39-48(53-22-13-24-61-59-20-6-11-29-67(59)73-69(53)61)41-49(40-47)54-23-14-25-62-60-21-7-12-30-68(60)74-70(54)62/h1-43H
InChIKeyVIEHGXRZKDGGAD-UHFFFAOYSA-N
MW942.13 g/mol
LogP19.45
Rot. Bonds6

About N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine

N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 121383308) has the molecular formula C71H43NO2 and a molecular weight of 942.13 g/mol. Its IUPAC name is N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
PubChem CID121383308
Molecular FormulaC71H43NO2
Molecular Weight942.13 g/mol
Exact Mass941.33
IUPAC NameN-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)cc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C71H43NO2/c1-2-16-46-42-51(36-33-44(46)15-1)72(52-37-38-58-57-19-5-10-28-65(57)71(66(58)43-52)63-26-8-3-17-55(63)56-18-4-9-27-64(56)71)50-34-31-45(32-35-50)47-39-48(53-22-13-24-61-59-20-6-11-29-67(59)73-69(53)61)41-49(40-47)54-23-14-25-62-60-21-7-12-30-68(60)74-70(54)62/h1-43H
InChIKeyVIEHGXRZKDGGAD-UHFFFAOYSA-N
XLogP19.45
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.13
LogP ≤ 519.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 137392478
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121383293
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475955
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177113965
3,5-di(dibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;bis(N-[3,5-di(dibenzofuran-4-yl)phenyl]-N-phenylnaphthalen-2-amine);3,5-di(dibenzofuran-4-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 160923165
(Z)-but-2-ene;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 145242811
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]aniline
CID 88950712
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159444261

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine (CID 121383308) is N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)cc3)c3ccc4ccccc4c3)cc21.
What is the InChIKey of N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is VIEHGXRZKDGGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H43NO2/c1-2-16-46-42-51(36-33-44(46)15-1)72(52-37-38-58-57-19-5-10-28-65(57)71(66(58)43-52)63-26-8-3-17-55(63)56-18-4-9-27-64(56)71)50-34-31-45(32-35-50)47-39-48(53-22-13-24-61-59-20-6-11-29-67(59)73-69(53)61)41-49(40-47)54-23-14-25-62-60-21-7-12-30-68(60)74-70(54)62/h1-43H.
What are the key properties of N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine?
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 942.13 g/mol, XLogP of 19.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 121383308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).