9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine

C59H41NO — CID 170675074

IUPAC9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)c3c2oc2c4ccccc4ccc23)c([2H])c1[2H]
InChIInChI=1S/C59H41NO/c1-59(2)53-24-14-13-22-48(53)49-32-30-43(37-54(49)59)60(42-28-25-39(26-29-42)38-15-5-3-6-16-38)55-36-35-47(46-21-11-12-23-50(46)55)51-34-33-45(40-17-7-4-8-18-40)58-56(51)52-31-27-41-19-9-10-20-44(41)57(52)61-58/h3-37H,1-2H3/i4D,7D,8D,17D,18D
InChIKeyUZUQZWPDDUGVGY-FBWFSGKPSA-N
MW785.01 g/mol
LogP16.67
Rot. Bonds6

About 9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 170675074) has the molecular formula C59H41NO and a molecular weight of 785.01 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID170675074
Molecular FormulaC59H41NO
Molecular Weight785.01 g/mol
Exact Mass784.35
IUPAC Name9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)c3c2oc2c4ccccc4ccc23)c([2H])c1[2H]
InChIInChI=1S/C59H41NO/c1-59(2)53-24-14-13-22-48(53)49-32-30-43(37-54(49)59)60(42-28-25-39(26-29-42)38-15-5-3-6-16-38)55-36-35-47(46-21-11-12-23-50(46)55)51-34-33-45(40-17-7-4-8-18-40)58-56(51)52-31-27-41-19-9-10-20-44(41)57(52)61-58/h3-37H,1-2H3/i4D,7D,8D,17D,18D
InChIKeyUZUQZWPDDUGVGY-FBWFSGKPSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.01
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

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)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170272231
2,3,6,7,8,9-hexadeuterio-N-(9,9-dimethylfluoren-2-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069522
1,2,3,5,6,7,8-heptadeuterio-N-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121585
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 130466784
10-(9,9-dimethylfluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170939858
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144181
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
N-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-9,9-dimethyl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 167330314
10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675127
9,9-dimethyl-N-[3-phenanthren-1-yl-2-(4-phenylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177274610

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine (CID 170675074) is 9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine is [2H]c1c([2H])c([2H])c(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc34)c3c2oc2c4ccccc4ccc23)c([2H])c1[2H].
What is the InChIKey of 9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is UZUQZWPDDUGVGY-FBWFSGKPSA-N. The full InChI is InChI=1S/C59H41NO/c1-59(2)53-24-14-13-22-48(53)49-32-30-43(37-54(49)59)60(42-28-25-39(26-29-42)38-15-5-3-6-16-38)55-36-35-47(46-21-11-12-23-50(46)55)51-34-33-45(40-17-7-4-8-18-40)58-56(51)52-31-27-41-19-9-10-20-44(41)57(52)61-58/h3-37H,1-2H3/i4D,7D,8D,17D,18D.
What are the key properties of 9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 785.01 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-7-yl]naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 170675074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).