N,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine

C57H36N2O — CID 134551222

IUPACN,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C57H36N2O/c1-3-16-38(17-4-1)58(41-34-35-52-48(36-41)45-22-9-13-28-51(45)59(52)39-18-5-2-6-19-39)40-32-30-37(31-33-40)42-24-15-25-47-54(42)57(55-46-23-10-14-29-53(46)60-56(47)55)49-26-11-7-20-43(49)44-21-8-12-27-50(44)57/h1-36H
InChIKeyASVPNYPMCUKHCH-UHFFFAOYSA-N
MW764.93 g/mol
LogP15.01
Rot. Bonds5

About N,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine

N,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine (PubChem CID 134551222) has the molecular formula C57H36N2O and a molecular weight of 764.93 g/mol. Its IUPAC name is N,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine
PubChem CID134551222
Molecular FormulaC57H36N2O
Molecular Weight764.93 g/mol
Exact Mass764.28
IUPAC NameN,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C57H36N2O/c1-3-16-38(17-4-1)58(41-34-35-52-48(36-41)45-22-9-13-28-51(45)59(52)39-18-5-2-6-19-39)40-32-30-37(31-33-40)42-24-15-25-47-54(42)57(55-46-23-10-14-29-53(46)60-56(47)55)49-26-11-7-20-43(49)44-21-8-12-27-50(44)57/h1-36H
InChIKeyASVPNYPMCUKHCH-UHFFFAOYSA-N
XLogP15.01
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 156664769
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 154955024
2-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine;2-N,2-N'-di(dibenzothiophen-4-yl)-2-N,2-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,2'-diamine;N,N-diphenyl-2-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine;N,4-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-yl]phenyl]aniline;2-N,2-N,2-N'-triphenyl-2-N'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,2'-diamine
CID 158941392
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
N-dibenzofuran-3-yl-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264393
N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 164769090
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]fluorene-2,7-diamine
CID 158626381
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 89426453
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine (CID 134551222) is N,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine is c1ccc(N(c2ccc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3c-4oc4ccccc34)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine?
The InChIKey is ASVPNYPMCUKHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2O/c1-3-16-38(17-4-1)58(41-34-35-52-48(36-41)45-22-9-13-28-51(45)59(52)39-18-5-2-6-19-39)40-32-30-37(31-33-40)42-24-15-25-47-54(42)57(55-46-23-10-14-29-53(46)60-56(47)55)49-26-11-7-20-43(49)44-21-8-12-27-50(44)57/h1-36H.
What are the key properties of N,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine?
N,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine has a molecular weight of 764.93 g/mol, XLogP of 15.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1'-ylphenyl)carbazol-3-amine is sourced from PubChem (CID 134551222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).