N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine

C59H39NO — CID 166565747

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc(-c6ccc7ccccc7c6)c5)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1
InChIInChI=1S/C59H39NO/c1-3-18-46(19-4-1)59(47-20-5-2-6-21-47)55-24-11-9-22-51(55)52-34-32-49(38-56(52)59)60(50-33-35-54-53-23-10-12-25-57(53)61-58(54)39-50)48-30-28-41(29-31-48)43-16-13-17-44(36-43)45-27-26-40-14-7-8-15-42(40)37-45/h1-39H
InChIKeyMRFIDSYTOHSWRM-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.91
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 166565747) has the molecular formula C59H39NO and a molecular weight of 777.97 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID166565747
Molecular FormulaC59H39NO
Molecular Weight777.97 g/mol
Exact Mass777.30
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc(-c6ccc7ccccc7c6)c5)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1
InChIInChI=1S/C59H39NO/c1-3-18-46(19-4-1)59(47-20-5-2-6-21-47)55-24-11-9-22-51(55)52-34-32-49(38-56(52)59)60(50-33-35-54-53-23-10-12-25-57(53)61-58(54)39-50)48-30-28-41(29-31-48)43-16-13-17-44(36-43)45-27-26-40-14-7-8-15-42(40)37-45/h1-39H
InChIKeyMRFIDSYTOHSWRM-UHFFFAOYSA-N
XLogP15.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177113965
N-(4-naphthalen-1-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine;N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)tetraphenylen-2-amine
CID 167566203
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine
CID 171451773
N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159070500
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine
CID 166565972
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167330204
N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 161322711
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine (CID 166565747) is N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc(-c6ccc7ccccc7c6)c5)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is MRFIDSYTOHSWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NO/c1-3-18-46(19-4-1)59(47-20-5-2-6-21-47)55-24-11-9-22-51(55)52-34-32-49(38-56(52)59)60(50-33-35-54-53-23-10-12-25-57(53)61-58(54)39-50)48-30-28-41(29-31-48)43-16-13-17-44(36-43)45-27-26-40-14-7-8-15-42(40)37-45/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 777.97 g/mol, XLogP of 15.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 166565747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).