N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine

C59H41NO2 — CID 163536549

IUPACN-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine
SMILESCC(C)(C)c1ccc(N(c2cc3c(cc2-c2cccc4c2oc2ccccc24)-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C59H41NO2/c1-58(2,3)36-30-32-37(33-31-36)60(52-27-15-23-44-42-20-8-13-29-55(42)62-57(44)52)53-35-51-46(34-47(53)45-22-14-21-43-41-19-7-12-28-54(41)61-56(43)45)40-18-6-11-26-50(40)59(51)48-24-9-4-16-38(48)39-17-5-10-25-49(39)59/h4-35H,1-3H3
InChIKeyDXMAEPKTURZCMR-UHFFFAOYSA-N
MW795.98 g/mol
LogP16.26
Rot. Bonds4

About N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine

N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine (PubChem CID 163536549) has the molecular formula C59H41NO2 and a molecular weight of 795.98 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine
PubChem CID163536549
Molecular FormulaC59H41NO2
Molecular Weight795.98 g/mol
Exact Mass795.31
IUPAC NameN-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine
SMILESCC(C)(C)c1ccc(N(c2cc3c(cc2-c2cccc4c2oc2ccccc24)-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C59H41NO2/c1-58(2,3)36-30-32-37(33-31-36)60(52-27-15-23-44-42-20-8-13-29-55(42)62-57(44)52)53-35-51-46(34-47(53)45-22-14-21-43-41-19-7-12-28-54(41)61-56(43)45)40-18-6-11-26-50(40)59(51)48-24-9-4-16-38(48)39-17-5-10-25-49(39)59/h4-35H,1-3H3
InChIKeyDXMAEPKTURZCMR-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.98
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-2-N-(4-tert-butylphenyl)-2-N,7-N-di(dibenzofuran-4-yl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2,7-diamine
CID 145276713
2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174287074
2',7'-ditert-butyl-N-dibenzofuran-4-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174287136
2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 170535488
3'-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729029
14-N,14-N,24-N,24-N-tetrakis(4-tert-butylphenyl)spiro[12,26-dioxanonacyclo[18.15.0.02,18.04,16.05,13.06,11.022,34.025,33.027,32]pentatriaconta-1(20),2(18),3,5(13),6,8,10,14,16,21,23,25(33),27,29,31,34-hexadecaene-19,9'-fluorene]-14,24-diamine
CID 145353106
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
2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine
CID 174287675
16-N,16-N,22-N,22-N-tetrakis(4-tert-butylphenyl)spiro[5,31-dioxanonacyclo[18.15.0.02,18.03,15.04,12.06,11.023,35.024,32.025,30]pentatriaconta-1(35),2,4(12),6,8,10,13,15,17,20,22,24(32),25,27,29,33-hexadecaene-19,9'-fluorene]-16,22-diamine
CID 137493403
2,7-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 174287674
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 118688084
2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174287009

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine (CID 163536549) is N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine is CC(C)(C)c1ccc(N(c2cc3c(cc2-c2cccc4c2oc2ccccc24)-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine?
The InChIKey is DXMAEPKTURZCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41NO2/c1-58(2,3)36-30-32-37(33-31-36)60(52-27-15-23-44-42-20-8-13-29-55(42)62-57(44)52)53-35-51-46(34-47(53)45-22-14-21-43-41-19-7-12-28-54(41)61-56(43)45)40-18-6-11-26-50(40)59(51)48-24-9-4-16-38(48)39-17-5-10-25-49(39)59/h4-35H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine?
N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine has a molecular weight of 795.98 g/mol, XLogP of 16.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine is sourced from PubChem (CID 163536549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).