N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine

C61H36N2O2 — CID 146333003

IUPACN-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine
SMILESc1ccc(-n2c3cc4oc5ccccc5c4cc3c3c(N(c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4cccc5c4oc4ccccc45)cccc32)cc1
InChIInChI=1S/C61H36N2O2/c1-2-17-37(18-3-1)62-51-30-16-31-52(59(51)45-35-44-41-22-8-12-33-55(41)64-57(44)36-54(45)62)63(53-32-14-24-42-40-21-7-13-34-56(40)65-60(42)53)50-29-15-28-49-58(50)43-23-6-11-27-48(43)61(49)46-25-9-4-19-38(46)39-20-5-10-26-47(39)61/h1-36H
InChIKeyJPJWTCOACMIVAO-UHFFFAOYSA-N
MW828.97 g/mol
LogP16.40
Rot. Bonds4

About N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine

N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine (PubChem CID 146333003) has the molecular formula C61H36N2O2 and a molecular weight of 828.97 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine
PubChem CID146333003
Molecular FormulaC61H36N2O2
Molecular Weight828.97 g/mol
Exact Mass828.28
IUPAC NameN-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine
SMILESc1ccc(-n2c3cc4oc5ccccc5c4cc3c3c(N(c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4cccc5c4oc4ccccc45)cccc32)cc1
InChIInChI=1S/C61H36N2O2/c1-2-17-37(18-3-1)62-51-30-16-31-52(59(51)45-35-44-41-22-8-12-33-55(41)64-57(44)36-54(45)62)63(53-32-14-24-42-40-21-7-13-34-56(40)65-60(42)53)50-29-15-28-49-58(50)43-23-6-11-27-48(43)61(49)46-25-9-4-19-38(46)39-20-5-10-26-47(39)61/h1-36H
InChIKeyJPJWTCOACMIVAO-UHFFFAOYSA-N
XLogP16.40
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.97
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-a]carbazol-4-amine
CID 146333018
N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine
CID 146332893
N-naphtho[2,1-b][1]benzofuran-10-yl-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine
CID 146333021
N-dibenzofuran-3-yl-N-dibenzofuran-4-yl-5-phenylbenzo[b]carbazol-1-amine
CID 163896520
3-N-dibenzofuran-4-yl-1-N-phenyl-1-N-(4-phenylphenyl)-3-N-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine
CID 167118056
3-N-dibenzofuran-4-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-5-yl)benzene-1,3-diamine
CID 170690223
3-N-dibenzofuran-4-yl-1-N-phenyl-1-N-(4-phenylphenyl)-3-N-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)benzene-1,3-diamine
CID 170690324
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-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-amine;9-phenyl-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]-4-ylphenyl)carbazol-3-amine
CID 161326780
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 121381379
N-(4-isocyanophenyl)-14-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-19-amine
CID 153319754
N-dibenzofuran-2-yl-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[3,2-a]carbazol-9-amine;N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[3,2-a]carbazol-9-amine;5-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[3,2-c]carbazol-2-amine
CID 159897367

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine?
The IUPAC name of N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine (CID 146333003) is N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine?
The canonical SMILES for N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine is c1ccc(-n2c3cc4oc5ccccc5c4cc3c3c(N(c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4cccc5c4oc4ccccc45)cccc32)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine?
The InChIKey is JPJWTCOACMIVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N2O2/c1-2-17-37(18-3-1)62-51-30-16-31-52(59(51)45-35-44-41-22-8-12-33-55(41)64-57(44)36-54(45)62)63(53-32-14-24-42-40-21-7-13-34-56(40)65-60(42)53)50-29-15-28-49-58(50)43-23-6-11-27-48(43)61(49)46-25-9-4-19-38(46)39-20-5-10-26-47(39)61/h1-36H.
What are the key properties of N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine?
N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine has a molecular weight of 828.97 g/mol, XLogP of 16.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine is sourced from PubChem (CID 146333003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).