N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine

C63H39NO — CID 177113965

IUPACN-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C63H39NO/c1-2-12-42-35-44(22-21-40(42)11-1)47-26-25-45-36-43(23-24-46(45)37-47)41-27-29-48(30-28-41)64(50-32-34-56-55-16-6-10-20-61(55)65-62(56)39-50)49-31-33-54-53-15-5-9-19-59(53)63(60(54)38-49)57-17-7-3-13-51(57)52-14-4-8-18-58(52)63/h1-39H
InChIKeyOMFUZBZHUPHTIY-UHFFFAOYSA-N
MW826.01 g/mol
LogP17.04
Rot. Bonds5

About N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine

N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine (PubChem CID 177113965) has the molecular formula C63H39NO and a molecular weight of 826.01 g/mol. Its IUPAC name is N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
PubChem CID177113965
Molecular FormulaC63H39NO
Molecular Weight826.01 g/mol
Exact Mass825.30
IUPAC NameN-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc21
InChIInChI=1S/C63H39NO/c1-2-12-42-35-44(22-21-40(42)11-1)47-26-25-45-36-43(23-24-46(45)37-47)41-27-29-48(30-28-41)64(50-32-34-56-55-16-6-10-20-61(55)65-62(56)39-50)49-31-33-54-53-15-5-9-19-59(53)63(60(54)38-49)57-17-7-3-13-51(57)52-14-4-8-18-58(52)63/h1-39H
InChIKeyOMFUZBZHUPHTIY-UHFFFAOYSA-N
XLogP17.04
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.01
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine
CID 139297893
N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177097029
N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309187
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 177114266
N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-2-yl)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'-amine
CID 135229710
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121383308
N-(2-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-3-amine
CID 157361279
7-N,19-N-bis(4-phenylphenyl)-7-N,19-N-bis(9,9'-spirobi[fluorene]-2-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303332
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-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 88534275

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
The IUPAC name of N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine (CID 177113965) is N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)cc21.
What is the InChIKey of N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
The InChIKey is OMFUZBZHUPHTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39NO/c1-2-12-42-35-44(22-21-40(42)11-1)47-26-25-45-36-43(23-24-46(45)37-47)41-27-29-48(30-28-41)64(50-32-34-56-55-16-6-10-20-61(55)65-62(56)39-50)49-31-33-54-53-15-5-9-19-59(53)63(60(54)38-49)57-17-7-3-13-51(57)52-14-4-8-18-58(52)63/h1-39H.
What are the key properties of N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine has a molecular weight of 826.01 g/mol, XLogP of 17.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 177113965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).