N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine

C57H35NO — CID 176588194

IUPACN-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4ccc(-c5cccc6ccccc56)cc4c3)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C57H35NO/c1-2-15-42-37(13-1)14-11-20-43(42)38-28-27-36-29-30-40(34-39(36)33-38)58(53-24-12-26-55-56(53)48-19-6-10-25-54(48)59-55)41-31-32-47-46-18-5-9-23-51(46)57(52(47)35-41)49-21-7-3-16-44(49)45-17-4-8-22-50(45)57/h1-35H
InChIKeyZGSFTSHGCPKFSQ-UHFFFAOYSA-N
MW749.91 g/mol
LogP15.37
Rot. Bonds4

About N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine

N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine (PubChem CID 176588194) has the molecular formula C57H35NO and a molecular weight of 749.91 g/mol. Its IUPAC name is N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
PubChem CID176588194
Molecular FormulaC57H35NO
Molecular Weight749.91 g/mol
Exact Mass749.27
IUPAC NameN-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4ccc(-c5cccc6ccccc56)cc4c3)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C57H35NO/c1-2-15-42-37(13-1)14-11-20-43(42)38-28-27-36-29-30-40(34-39(36)33-38)58(53-24-12-26-55-56(53)48-19-6-10-25-54(48)59-55)41-31-32-47-46-18-5-9-23-51(46)57(52(47)35-41)49-21-7-3-16-44(49)45-17-4-8-22-50(45)57/h1-35H
InChIKeyZGSFTSHGCPKFSQ-UHFFFAOYSA-N
XLogP15.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.91
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177097029
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
7-N',17-N'-di(dibenzofuran-1-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137492867
N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-1-amine
CID 168811960
N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032080
N-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzofuran-1-amine
CID 176633906
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-naphthalen-2-yl-1-phenanthren-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 177280746
2-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 167326417

Frequently Asked Questions

What is the IUPAC name of N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine?
The IUPAC name of N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine (CID 176588194) is N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc4ccc(-c5cccc6ccccc56)cc4c3)c3cccc4oc5ccccc5c34)cc21.
What is the InChIKey of N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine?
The InChIKey is ZGSFTSHGCPKFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35NO/c1-2-15-42-37(13-1)14-11-20-43(42)38-28-27-36-29-30-40(34-39(36)33-38)58(53-24-12-26-55-56(53)48-19-6-10-25-54(48)59-55)41-31-32-47-46-18-5-9-23-51(46)57(52(47)35-41)49-21-7-3-16-44(49)45-17-4-8-22-50(45)57/h1-35H.
What are the key properties of N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine?
N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine has a molecular weight of 749.91 g/mol, XLogP of 15.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-naphthalen-1-ylnaphthalen-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 176588194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).