N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine

C64H42N2O — CID 146332893

IUPACN-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c5c6oc7ccccc7c6ccc5n(-c5ccccc5)c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C64H42N2O/c1-63(2)48-25-11-8-23-45(48)59-52(63)29-16-31-54(59)66(55-32-17-30-53-60(55)46-24-9-14-28-51(46)64(53)49-26-12-6-20-41(49)42-21-7-13-27-50(42)64)40-34-35-47-57(38-40)65(39-18-4-3-5-19-39)56-37-36-44-43-22-10-15-33-58(43)67-62(44)61(47)56/h3-38H,1-2H3
InChIKeyLBNZWSGUJCJZNP-UHFFFAOYSA-N
MW855.05 g/mol
LogP16.80
Rot. Bonds4

About N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine

N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine (PubChem CID 146332893) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine
PubChem CID146332893
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c5c6oc7ccccc7c6ccc5n(-c5ccccc5)c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C64H42N2O/c1-63(2)48-25-11-8-23-45(48)59-52(63)29-16-31-54(59)66(55-32-17-30-53-60(55)46-24-9-14-28-51(46)64(53)49-26-12-6-20-41(49)42-21-7-13-27-50(42)64)40-34-35-47-57(38-40)65(39-18-4-3-5-19-39)56-37-36-44-43-22-10-15-33-58(43)67-62(44)61(47)56/h3-38H,1-2H3
InChIKeyLBNZWSGUJCJZNP-UHFFFAOYSA-N
XLogP16.80
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.05
LogP ≤ 516.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-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
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286472
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
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
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 160755844
N-(9,9-dimethylfluoren-4-yl)-N-naphtho[1,2-b][1]benzofuran-10-yl-9-phenylcarbazol-2-amine
CID 177122168
N-dibenzofuran-4-yl-7-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-11-amine
CID 146333003
N-dibenzofuran-2-yl-9-(4-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-2-amine;N-dibenzofuran-3-yl-9-(4-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine;N-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine
CID 157254887
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine
CID 90050684
N-[4-(9H-carbazol-1-yl)phenyl]-9,9-dimethyl-N-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]fluoren-4-amine;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 157312181

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine?
The IUPAC name of 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) is N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c5c6oc7ccccc7c6ccc5n(-c5ccccc5)c4c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine?
The InChIKey is LBNZWSGUJCJZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-63(2)48-25-11-8-23-45(48)59-52(63)29-16-31-54(59)66(55-32-17-30-53-60(55)46-24-9-14-28-51(46)64(53)49-26-12-6-20-41(49)42-21-7-13-27-50(42)64)40-34-35-47-57(38-40)65(39-18-4-3-5-19-39)56-37-36-44-43-22-10-15-33-58(43)67-62(44)61(47)56/h3-38H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine?
N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine has a molecular weight of 855.05 g/mol, XLogP of 16.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-5-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-g]carbazol-3-amine is sourced from PubChem (CID 146332893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).