N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine

C47H29NO — CID 164960101

IUPACN-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cccc4cccc2c34)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C47H29NO/c1-2-15-31(16-3-1)48(43-25-12-21-38-36-19-6-9-26-44(36)49-46(38)43)32-27-28-35-33-17-4-7-22-39(33)47(42(35)29-32)40-23-8-5-18-34(40)37-20-10-13-30-14-11-24-41(47)45(30)37/h1-29H
InChIKeyWABXOHVZJMAREV-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.55
Rot. Bonds3

About N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine

N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine (PubChem CID 164960101) has the molecular formula C47H29NO and a molecular weight of 623.76 g/mol. Its IUPAC name is N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
PubChem CID164960101
Molecular FormulaC47H29NO
Molecular Weight623.76 g/mol
Exact Mass623.22
IUPAC NameN-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cccc4cccc2c34)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C47H29NO/c1-2-15-31(16-3-1)48(43-25-12-21-38-36-19-6-9-26-44(36)49-46(38)43)32-27-28-35-33-17-4-7-22-39(33)47(42(35)29-32)40-23-8-5-18-34(40)37-20-10-13-30-14-11-24-41(47)45(30)37/h1-29H
InChIKeyWABXOHVZJMAREV-UHFFFAOYSA-N
XLogP12.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
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
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-(9,9-dimethylfluoren-2-yl)-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161205657
3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine
CID 168791333
N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine
CID 140962343
N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine
CID 164974952
10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-5-N,5-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168855700
N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 122675407
2-N'-dibenzofuran-4-yl-4-N-naphthalen-1-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-dibenzothiophen-2-yl-4-N-naphthalen-1-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N'-naphthalen-1-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161223026
N,N-bis(9,9-diphenylfluoren-2-yl)-7-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-amine;N-dibenzofuran-4-yl-7-naphthalen-1-yl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;N-dibenzofuran-4-yl-7-naphthalen-1-yl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine;7-naphthalen-1-yl-N,N-bis(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-5-amine
CID 157344365
N-(2-dibenzothiophen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 176583430
10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168856004

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine?
The IUPAC name of N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine (CID 164960101) is N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine.
What is the SMILES notation for N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine?
The canonical SMILES for N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cccc4cccc2c34)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine?
The InChIKey is WABXOHVZJMAREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NO/c1-2-15-31(16-3-1)48(43-25-12-21-38-36-19-6-9-26-44(36)49-46(38)43)32-27-28-35-33-17-4-7-22-39(33)47(42(35)29-32)40-23-8-5-18-34(40)37-20-10-13-30-14-11-24-41(47)45(30)37/h1-29H.
What are the key properties of N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine?
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine has a molecular weight of 623.76 g/mol, XLogP of 12.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine is sourced from PubChem (CID 164960101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).