N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine

C53H33NO — CID 138717052

IUPACN-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(N(c4cccc5ccccc45)c4cccc5oc6ccccc6c45)cc32)cc1
InChIInChI=1S/C53H33NO/c1-2-14-34(15-3-1)36-28-30-41-39-19-6-9-22-44(39)53(46(41)32-36)45-23-10-7-20-40(45)42-31-29-37(33-47(42)53)54(48-24-12-17-35-16-4-5-18-38(35)48)49-25-13-27-51-52(49)43-21-8-11-26-50(43)55-51/h1-33H
InChIKeySQPBYSVAWSZUQD-UHFFFAOYSA-N
MW699.85 g/mol
LogP14.22
Rot. Bonds4

About N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine

N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine (PubChem CID 138717052) has the molecular formula C53H33NO and a molecular weight of 699.85 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
PubChem CID138717052
Molecular FormulaC53H33NO
Molecular Weight699.85 g/mol
Exact Mass699.26
IUPAC NameN-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(N(c4cccc5ccccc45)c4cccc5oc6ccccc6c45)cc32)cc1
InChIInChI=1S/C53H33NO/c1-2-14-34(15-3-1)36-28-30-41-39-19-6-9-22-44(39)53(46(41)32-36)45-23-10-7-20-40(45)42-31-29-37(33-47(42)53)54(48-24-12-17-35-16-4-5-18-38(35)48)49-25-13-27-51-52(49)43-21-8-11-26-50(43)55-51/h1-33H
InChIKeySQPBYSVAWSZUQD-UHFFFAOYSA-N
XLogP14.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.85
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)dibenzofuran-1-amine
CID 130264392
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine
CID 164990036
N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-1-amine
CID 168811960
N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 176588194
N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 169315784
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
2-N'-dibenzofuran-1-yl-2-N-phenyl-2-N'-(1-phenylnaphthalen-2-yl)-2-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633873
N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine
CID 176633906

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine?
The IUPAC name of N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine (CID 138717052) is N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine is c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(N(c4cccc5ccccc45)c4cccc5oc6ccccc6c45)cc32)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine?
The InChIKey is SQPBYSVAWSZUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NO/c1-2-14-34(15-3-1)36-28-30-41-39-19-6-9-22-44(39)53(46(41)32-36)45-23-10-7-20-40(45)42-31-29-37(33-47(42)53)54(48-24-12-17-35-16-4-5-18-38(35)48)49-25-13-27-51-52(49)43-21-8-11-26-50(43)55-51/h1-33H.
What are the key properties of N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine?
N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine has a molecular weight of 699.85 g/mol, XLogP of 14.22, 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-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine is sourced from PubChem (CID 138717052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).