2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine

C70H55NO2 — CID 174281956

IUPAC2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccc(N(c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c4ccccc4-c4ccccc4)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C70H55NO2/c1-67(2,3)45-32-36-51-52-37-33-46(68(4,5)6)41-59(52)70(58(51)40-45)57-27-15-19-31-65(57)73-66-39-35-48(43-61(66)70)71(62-28-16-11-22-49(62)44-20-8-7-9-21-44)47-34-38-53-50-23-10-12-24-54(50)69(60(53)42-47)55-25-13-17-29-63(55)72-64-30-18-14-26-56(64)69/h7-43H,1-6H3
InChIKeyMNUXILXRNANQMZ-UHFFFAOYSA-N
MW942.22 g/mol
LogP18.36
Rot. Bonds4

About 2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine

2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 174281956) has the molecular formula C70H55NO2 and a molecular weight of 942.22 g/mol. Its IUPAC name is 2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

Compound Name2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
PubChem CID174281956
Molecular FormulaC70H55NO2
Molecular Weight942.22 g/mol
Exact Mass941.42
IUPAC Name2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccc(N(c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c4ccccc4-c4ccccc4)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C70H55NO2/c1-67(2,3)45-32-36-51-52-37-33-46(68(4,5)6)41-59(52)70(58(51)40-45)57-27-15-19-31-65(57)73-66-39-35-48(43-61(66)70)71(62-28-16-11-22-49(62)44-20-8-7-9-21-44)47-34-38-53-50-23-10-12-24-54(50)69(60(53)42-47)55-25-13-17-29-63(55)72-64-30-18-14-26-56(64)69/h7-43H,1-6H3
InChIKeyMNUXILXRNANQMZ-UHFFFAOYSA-N
XLogP18.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.22
LogP ≤ 518.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-ditert-butyl-N-(9,9-diphenylxanthen-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282393
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282092
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
2',7'-ditert-butyl-N-(9,9-diphenylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 174278515
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174279588
2',7'-ditert-butyl-N,N-bis(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284062
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477897
2',7'-ditert-butyl-N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284182
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153715
2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240643
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The IUPAC name of 2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine (CID 174281956) is 2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine.
What is the SMILES notation for 2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The canonical SMILES for 2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccc(N(c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c4ccccc4-c4ccccc4)cc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The InChIKey is MNUXILXRNANQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H55NO2/c1-67(2,3)45-32-36-51-52-37-33-46(68(4,5)6)41-59(52)70(58(51)40-45)57-27-15-19-31-65(57)73-66-39-35-48(43-61(66)70)71(62-28-16-11-22-49(62)44-20-8-7-9-21-44)47-34-38-53-50-23-10-12-24-54(50)69(60(53)42-47)55-25-13-17-29-63(55)72-64-30-18-14-26-56(64)69/h7-43H,1-6H3.
What are the key properties of 2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 942.22 g/mol, XLogP of 18.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 174281956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).