N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline

C67H42N2O — CID 171799120

IUPACN-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4c5c(cc6c4oc4ccccc46)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C67H42N2O/c1-2-17-43(18-3-1)44-33-35-46(36-34-44)68(47-37-39-48(40-38-47)69-61-30-13-7-24-53(61)54-25-8-14-31-62(54)69)49-20-16-19-45(41-49)64-65-56(42-57-55-26-9-15-32-63(55)70-66(57)64)52-23-6-12-29-60(52)67(65)58-27-10-4-21-50(58)51-22-5-11-28-59(51)67/h1-42H
InChIKeyZLGASVFMQVIFFQ-UHFFFAOYSA-N
MW891.09 g/mol
LogP17.83
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline

N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline (PubChem CID 171799120) has the molecular formula C67H42N2O and a molecular weight of 891.09 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline
PubChem CID171799120
Molecular FormulaC67H42N2O
Molecular Weight891.09 g/mol
Exact Mass890.33
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4c5c(cc6c4oc4ccccc46)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C67H42N2O/c1-2-17-43(18-3-1)44-33-35-46(36-34-44)68(47-37-39-48(40-38-47)69-61-30-13-7-24-53(61)54-25-8-14-31-62(54)69)49-20-16-19-45(41-49)64-65-56(42-57-55-26-9-15-32-63(55)70-66(57)64)52-23-6-12-29-60(52)67(65)58-27-10-4-21-50(58)51-22-5-11-28-59(51)67/h1-42H
InChIKeyZLGASVFMQVIFFQ-UHFFFAOYSA-N
XLogP17.83
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-3-amine;N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-3-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 158915505
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 164956746
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 154955024
4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline
CID 164769104
N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 164769090
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-phenylaniline
CID 155398130
N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122578447
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
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121329609
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline (CID 171799120) is N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline is c1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc(-c4c5c(cc6c4oc4ccccc46)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline?
The InChIKey is ZLGASVFMQVIFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2O/c1-2-17-43(18-3-1)44-33-35-46(36-34-44)68(47-37-39-48(40-38-47)69-61-30-13-7-24-53(61)54-25-8-14-31-62(54)69)49-20-16-19-45(41-49)64-65-56(42-57-55-26-9-15-32-63(55)70-66(57)64)52-23-6-12-29-60(52)67(65)58-27-10-4-21-50(58)51-22-5-11-28-59(51)67/h1-42H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline?
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline has a molecular weight of 891.09 g/mol, XLogP of 17.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylaniline is sourced from PubChem (CID 171799120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).