N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine

C65H40N2O — CID 168781594

IUPACN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
SMILESc1ccc(-n2c3cc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C65H40N2O/c1-2-16-44(17-3-1)67-60-39-43(32-36-50(60)52-37-31-42-15-4-5-18-47(42)64(52)67)41-29-33-45(34-30-41)66(46-35-38-62-54(40-46)51-21-9-13-28-61(51)68-62)59-27-14-26-58-63(59)53-22-8-12-25-57(53)65(58)55-23-10-6-19-48(55)49-20-7-11-24-56(49)65/h1-40H
InChIKeyLVLJWGBLFVHOCQ-UHFFFAOYSA-N
MW865.05 g/mol
LogP17.32
Rot. Bonds5

About N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine (PubChem CID 168781594) has the molecular formula C65H40N2O and a molecular weight of 865.05 g/mol. Its IUPAC name is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
PubChem CID168781594
Molecular FormulaC65H40N2O
Molecular Weight865.05 g/mol
Exact Mass864.31
IUPAC NameN-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
SMILESc1ccc(-n2c3cc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)ccc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C65H40N2O/c1-2-16-44(17-3-1)67-60-39-43(32-36-50(60)52-37-31-42-15-4-5-18-47(42)64(52)67)41-29-33-45(34-30-41)66(46-35-38-62-54(40-46)51-21-9-13-28-61(51)68-62)59-27-14-26-58-63(59)53-22-8-12-25-57(53)65(58)55-23-10-6-19-48(55)49-20-7-11-24-56(49)65/h1-40H
InChIKeyLVLJWGBLFVHOCQ-UHFFFAOYSA-N
XLogP17.32
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.05
LogP ≤ 517.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 168781540
N-(4-phenanthren-3-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 168781886
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 168782198
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168781835
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 168782026
N-(3,5-diphenylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-4-amine
CID 168781545
N-(4-phenylphenyl)-N-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-yldibenzofuran-2-amine
CID 130263998
N-dibenzofuran-1-yl-6-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-2-amine
CID 168781491
N-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine;N,N-bis(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-9,9-diphenylfluoren-4-amine;N,N-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9-diphenylfluoren-4-amine;N-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 157433670
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-3-amine
CID 168781831
N-dibenzofuran-2-yl-11-phenyl-N-(2-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847905
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine?
The IUPAC name of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine (CID 168781594) is N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine?
The canonical SMILES for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine is c1ccc(-n2c3cc(-c4ccc(N(c5ccc6oc7ccccc7c6c5)c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)ccc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine?
The InChIKey is LVLJWGBLFVHOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N2O/c1-2-16-44(17-3-1)67-60-39-43(32-36-50(60)52-37-31-42-15-4-5-18-47(42)64(52)67)41-29-33-45(34-30-41)66(46-35-38-62-54(40-46)51-21-9-13-28-61(51)68-62)59-27-14-26-58-63(59)53-22-8-12-25-57(53)65(58)55-23-10-6-19-48(55)49-20-7-11-24-56(49)65/h1-40H.
What are the key properties of N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine?
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine has a molecular weight of 865.05 g/mol, XLogP of 17.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine is sourced from PubChem (CID 168781594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).