N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine

C61H37NO — CID 164990036

IUPACN-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)c5cccc2c45)c2cccc4cccc-3c24)cc1
InChIInChI=1S/C61H37NO/c1-2-14-38(15-3-1)41-30-32-45-48-23-10-18-40-19-11-26-52(59(40)48)61(54(45)36-41)51-25-8-6-21-44(51)49-34-35-56(50-24-13-27-53(61)60(49)50)62(55-28-12-17-39-16-4-5-20-43(39)55)42-31-33-47-46-22-7-9-29-57(46)63-58(47)37-42/h1-37H
InChIKeyBWSWHSKQFBUKPY-UHFFFAOYSA-N
MW799.97 g/mol
LogP16.53
Rot. Bonds4

About N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine

N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine (PubChem CID 164990036) has the molecular formula C61H37NO and a molecular weight of 799.97 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine
PubChem CID164990036
Molecular FormulaC61H37NO
Molecular Weight799.97 g/mol
Exact Mass799.29
IUPAC NameN-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)c5cccc2c45)c2cccc4cccc-3c24)cc1
InChIInChI=1S/C61H37NO/c1-2-14-38(15-3-1)41-30-32-45-48-23-10-18-40-19-11-26-52(59(40)48)61(54(45)36-41)51-25-8-6-21-44(51)49-34-35-56(50-24-13-27-53(61)60(49)50)62(55-28-12-17-39-16-4-5-20-43(39)55)42-31-33-47-46-22-7-9-29-57(46)63-58(47)37-42/h1-37H
InChIKeyBWSWHSKQFBUKPY-UHFFFAOYSA-N
XLogP16.53
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.97
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine
CID 164974952
N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine
CID 165083383
N-naphthalen-1-yl-9'-phenyl-N-(2-phenylnaphthalen-1-yl)-7,7'-spirobi[benzo[a]phenalene]-3'-amine
CID 164965151
N-(2-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-3-amine
CID 157361279
N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168811913
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N-[4-(2-naphthalen-1-yl-9-phenylfluoren-9-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 159324099
N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 168812212

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine?
The IUPAC name of N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine (CID 164990036) is N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine is c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)c5cccc2c45)c2cccc4cccc-3c24)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine?
The InChIKey is BWSWHSKQFBUKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37NO/c1-2-14-38(15-3-1)41-30-32-45-48-23-10-18-40-19-11-26-52(59(40)48)61(54(45)36-41)51-25-8-6-21-44(51)49-34-35-56(50-24-13-27-53(61)60(49)50)62(55-28-12-17-39-16-4-5-20-43(39)55)42-31-33-47-46-22-7-9-29-57(46)63-58(47)37-42/h1-37H.
What are the key properties of N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine?
N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine has a molecular weight of 799.97 g/mol, XLogP of 16.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine is sourced from PubChem (CID 164990036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).