3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine

C74H51NO2 — CID 164707122

IUPAC3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
SMILESCC(C)(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2Oc2ccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3cccc4cc(-c5cccc6ccccc56)ccc34)cc21
InChIInChI=1S/C74H51NO2/c1-72(2,3)49-35-39-62-58(43-49)57-24-8-11-28-61(57)74(62)64-30-13-15-33-69(64)77-71-41-37-51(45-66(71)74)75(67-31-17-20-47-42-48(34-38-54(47)67)53-25-16-19-46-18-4-5-21-52(46)53)50-36-40-70-65(44-50)73(63-29-12-14-32-68(63)76-70)59-26-9-6-22-55(59)56-23-7-10-27-60(56)73/h4-45H,1-3H3
InChIKeyDWFDXVAGIBZXDG-UHFFFAOYSA-N
MW986.23 g/mol
LogP19.36
Rot. Bonds4

About 3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine

3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 164707122) has the molecular formula C74H51NO2 and a molecular weight of 986.23 g/mol. Its IUPAC name is 3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
PubChem CID164707122
Molecular FormulaC74H51NO2
Molecular Weight986.23 g/mol
Exact Mass985.39
IUPAC Name3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
SMILESCC(C)(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2Oc2ccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3cccc4cc(-c5cccc6ccccc56)ccc34)cc21
InChIInChI=1S/C74H51NO2/c1-72(2,3)49-35-39-62-58(43-49)57-24-8-11-28-61(57)74(62)64-30-13-15-33-69(64)77-71-41-37-51(45-66(71)74)75(67-31-17-20-47-42-48(34-38-54(47)67)53-25-16-19-46-18-4-5-21-52(46)53)50-36-40-70-65(44-50)73(63-29-12-14-32-68(63)76-70)59-26-9-6-22-55(59)56-23-7-10-27-60(56)73/h4-45H,1-3H3
InChIKeyDWFDXVAGIBZXDG-UHFFFAOYSA-N
XLogP19.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.23
LogP ≤ 519.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282092
2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282244
2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281956
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167178058
N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 170116159
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794070
N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476176
N-naphthalen-1-yl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794441
2,7-ditert-butyl-N-(9,9-diphenylxanthen-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282393
N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476834
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153947

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The IUPAC name of 3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine (CID 164707122) is 3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine.
What is the SMILES notation for 3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The canonical SMILES for 3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine is CC(C)(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2Oc2ccc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3cccc4cc(-c5cccc6ccccc56)ccc34)cc21.
What is the InChIKey of 3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The InChIKey is DWFDXVAGIBZXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H51NO2/c1-72(2,3)49-35-39-62-58(43-49)57-24-8-11-28-61(57)74(62)64-30-13-15-33-69(64)77-71-41-37-51(45-66(71)74)75(67-31-17-20-47-42-48(34-38-54(47)67)53-25-16-19-46-18-4-5-21-52(46)53)50-36-40-70-65(44-50)73(63-29-12-14-32-68(63)76-70)59-26-9-6-22-55(59)56-23-7-10-27-60(56)73/h4-45H,1-3H3.
What are the key properties of 3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 986.23 g/mol, XLogP of 19.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 164707122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).