9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine

C55H37NO — CID 171451773

IUPAC9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C55H37NO/c1-4-14-38(15-5-1)39-24-29-44(30-25-39)56(45-31-26-40(27-32-45)41-28-34-50-49-21-11-13-23-53(49)57-54(50)36-41)46-33-35-48-47-20-10-12-22-51(47)55(52(48)37-46,42-16-6-2-7-17-42)43-18-8-3-9-19-43/h1-37H/i26D,27D,31D,32D
InChIKeyGWZCDDMVNYARFM-DHADARJPSA-N
MW731.93 g/mol
LogP14.75
Rot. Bonds7

About 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine

9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine (PubChem CID 171451773) has the molecular formula C55H37NO and a molecular weight of 731.93 g/mol. Its IUPAC name is 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine
PubChem CID171451773
Molecular FormulaC55H37NO
Molecular Weight731.93 g/mol
Exact Mass731.31
IUPAC Name9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine
SMILES[2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C55H37NO/c1-4-14-38(15-5-1)39-24-29-44(30-25-39)56(45-31-26-40(27-32-45)41-28-34-50-49-21-11-13-23-53(49)57-54(50)36-41)46-33-35-48-47-20-10-12-22-51(47)55(52(48)37-46,42-16-6-2-7-17-42)43-18-8-3-9-19-43/h1-37H/i26D,27D,31D,32D
InChIKeyGWZCDDMVNYARFM-DHADARJPSA-N
XLogP14.75
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.93
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
9,9-diphenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171452548
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(4-isocyanophenyl)-9,9-diphenylfluoren-2-amine
CID 88534208
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
2,3,5,6-tetradeuterio-N,N-bis(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 171450972
2,3,5,6-tetradeuterio-4-dibenzofuran-3-yl-N,N-bis(4-phenylphenyl)aniline
CID 171451950
2,3,5,6-tetradeuterio-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)aniline
CID 171452184
N-(9,9-diphenylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050339
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine
CID 171453577
N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)dibenzofuran-3-amine
CID 171452943

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine (CID 171451773) is 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine is [2H]c1c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c([2H])c([2H])c1-c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine?
The InChIKey is GWZCDDMVNYARFM-DHADARJPSA-N. The full InChI is InChI=1S/C55H37NO/c1-4-14-38(15-5-1)39-24-29-44(30-25-39)56(45-31-26-40(27-32-45)41-28-34-50-49-21-11-13-23-53(49)57-54(50)36-41)46-33-35-48-47-20-10-12-22-51(47)55(52(48)37-46,42-16-6-2-7-17-42)43-18-8-3-9-19-43/h1-37H/i26D,27D,31D,32D.
What are the key properties of 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine?
9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine has a molecular weight of 731.93 g/mol, XLogP of 14.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 171451773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).