N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine

C71H55NO — CID 177114159

IUPACN-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)c4cccc5c4oc4ccccc45)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C71H55NO/c1-69(2,3)52-30-35-57-58-36-31-53(70(4,5)6)42-64(58)71(63(57)41-52)62-19-11-9-16-56(62)59-37-34-55(43-65(59)71)72(66-20-13-18-61-60-17-10-12-21-67(60)73-68(61)66)54-32-28-45(29-33-54)47-24-25-50-40-51(27-26-49(50)39-47)48-23-22-44-14-7-8-15-46(44)38-48/h7-43H,1-6H3
InChIKeyDLDXLWLTJZKYOX-UHFFFAOYSA-N
MW938.23 g/mol
LogP19.63
Rot. Bonds5

About N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine

N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine (PubChem CID 177114159) has the molecular formula C71H55NO and a molecular weight of 938.23 g/mol. Its IUPAC name is N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
PubChem CID177114159
Molecular FormulaC71H55NO
Molecular Weight938.23 g/mol
Exact Mass937.43
IUPAC NameN-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)c4cccc5c4oc4ccccc45)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C71H55NO/c1-69(2,3)52-30-35-57-58-36-31-53(70(4,5)6)42-64(58)71(63(57)41-52)62-19-11-9-16-56(62)59-37-34-55(43-65(59)71)72(66-20-13-18-61-60-17-10-12-21-67(60)73-68(61)66)54-32-28-45(29-33-54)47-24-25-50-40-51(27-26-49(50)39-47)48-23-22-44-14-7-8-15-46(44)38-48/h7-43H,1-6H3
InChIKeyDLDXLWLTJZKYOX-UHFFFAOYSA-N
XLogP19.63
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.23
LogP ≤ 519.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 177114196
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 135277308
N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
CID 164764699
2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 170535488
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028626
3,6-ditert-butyl-7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137494594
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121383308
N-[17-(4-tert-butylphenyl)-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl]-N-phenyldibenzofuran-4-amine
CID 166032684
2',7'-ditert-butyl-7-(3-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 166566242
9,9-dimethyl-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)fluoren-2-amine;methane;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-4-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-4-amine
CID 162207264
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101

Frequently Asked Questions

What is the IUPAC name of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine (CID 177114159) is N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)c4cccc5c4oc4ccccc45)cc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is DLDXLWLTJZKYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H55NO/c1-69(2,3)52-30-35-57-58-36-31-53(70(4,5)6)42-64(58)71(63(57)41-52)62-19-11-9-16-56(62)59-37-34-55(43-65(59)71)72(66-20-13-18-61-60-17-10-12-21-67(60)73-68(61)66)54-32-28-45(29-33-54)47-24-25-50-40-51(27-26-49(50)39-47)48-23-22-44-14-7-8-15-46(44)38-48/h7-43H,1-6H3.
What are the key properties of N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine?
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine has a molecular weight of 938.23 g/mol, XLogP of 19.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 177114159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).