N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine

C65H43NO — CID 167330061

IUPACN-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C65H43NO/c1-4-18-44(19-5-1)47-21-16-22-48(42-47)45-34-37-51(38-35-45)66(61-32-15-13-29-56(61)57-30-17-33-62-63(57)58-40-36-46-20-10-11-27-53(46)64(58)67-62)52-39-41-55-54-28-12-14-31-59(54)65(60(55)43-52,49-23-6-2-7-24-49)50-25-8-3-9-26-50/h1-43H/i34D,35D,37D,38D
InChIKeyJKUPQGMIFBQOQJ-XHVPLNLESA-N
MW858.09 g/mol
LogP17.57
Rot. Bonds8

About N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine

N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 167330061) has the molecular formula C65H43NO and a molecular weight of 858.09 g/mol. Its IUPAC name is N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID167330061
Molecular FormulaC65H43NO
Molecular Weight858.09 g/mol
Exact Mass857.36
IUPAC NameN-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C65H43NO/c1-4-18-44(19-5-1)47-21-16-22-48(42-47)45-34-37-51(38-35-45)66(61-32-15-13-29-56(61)57-30-17-33-62-63(57)58-40-36-46-20-10-11-27-53(46)64(58)67-62)52-39-41-55-54-28-12-14-31-59(54)65(60(55)43-52,49-23-6-2-7-24-49)50-25-8-3-9-26-50/h1-43H/i34D,35D,37D,38D
InChIKeyJKUPQGMIFBQOQJ-XHVPLNLESA-N
XLogP17.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.09
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167330009
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167329607
2,3,5,6-tetradeuterio-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenanthren-2-yl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]aniline
CID 167330307
2,3,5,6-tetradeuterio-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-(3-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)aniline
CID 167331165
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167330938
9,9-diphenyl-N-(2-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 171452876
2,3,5,6-tetradeuterio-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)-4-(4-phenylphenyl)aniline
CID 167331120
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167330204
N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 166939749
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 167330969
N-(2-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324852

Frequently Asked Questions

What is the IUPAC name of N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine (CID 167330061) is N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine is [2H]c1c([2H])c(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is JKUPQGMIFBQOQJ-XHVPLNLESA-N. The full InChI is InChI=1S/C65H43NO/c1-4-18-44(19-5-1)47-21-16-22-48(42-47)45-34-37-51(38-35-45)66(61-32-15-13-29-56(61)57-30-17-33-62-63(57)58-40-36-46-20-10-11-27-53(46)64(58)67-62)52-39-41-55-54-28-12-14-31-59(54)65(60(55)43-52,49-23-6-2-7-24-49)50-25-8-3-9-26-50/h1-43H/i34D,35D,37D,38D.
What are the key properties of N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine?
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 858.09 g/mol, XLogP of 17.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 167330061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).