N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine

C55H37NO — CID 169296235

IUPACN-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3oc3c(-c5ccccc5)c5ccccc5cc34)cc21
InChIInChI=1S/C55H37NO/c1-55(2)49-25-13-12-23-44(49)45-30-28-37(33-50(45)55)56(36-27-29-43-41-21-9-8-19-39(41)40-20-10-11-22-42(40)47(43)32-36)51-26-14-24-46-48-31-35-17-6-7-18-38(35)52(54(48)57-53(46)51)34-15-4-3-5-16-34/h3-33H,1-2H3
InChIKeyCJXOGHRWCOEWIR-UHFFFAOYSA-N
MW727.91 g/mol
LogP15.64
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine

N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine (PubChem CID 169296235) has the molecular formula C55H37NO and a molecular weight of 727.91 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
PubChem CID169296235
Molecular FormulaC55H37NO
Molecular Weight727.91 g/mol
Exact Mass727.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3oc3c(-c5ccccc5)c5ccccc5cc34)cc21
InChIInChI=1S/C55H37NO/c1-55(2)49-25-13-12-23-44(49)45-30-28-37(33-50(45)55)56(36-27-29-43-41-21-9-8-19-39(41)40-20-10-11-22-42(40)47(43)32-36)51-26-14-24-46-48-31-35-17-6-7-18-38(35)52(54(48)57-53(46)51)34-15-4-3-5-16-34/h3-33H,1-2H3
InChIKeyCJXOGHRWCOEWIR-UHFFFAOYSA-N
XLogP15.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-(4-triphenylen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295211
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295150
N-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295713
N,6-bis(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295596
N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295434
6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169296176
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
N-(9,9-dimethylfluoren-2-yl)-N-phenanthren-9-yl-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295604
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine (CID 169296235) is N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4c3oc3c(-c5ccccc5)c5ccccc5cc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine?
The InChIKey is CJXOGHRWCOEWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO/c1-55(2)49-25-13-12-23-44(49)45-30-28-37(33-50(45)55)56(36-27-29-43-41-21-9-8-19-39(41)40-20-10-11-22-42(40)47(43)32-36)51-26-14-24-46-48-31-35-17-6-7-18-38(35)52(54(48)57-53(46)51)34-15-4-3-5-16-34/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine?
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine has a molecular weight of 727.91 g/mol, XLogP of 15.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine is sourced from PubChem (CID 169296235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).