2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline

C67H55NO — CID 174293743

IUPAC2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3c(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4cccc5ccccc45)cccc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C67H55NO/c1-65(2,3)47-36-40-52-53-41-37-48(66(4,5)6)43-60(53)67(59(52)42-47)57-29-14-17-33-63(57)69-64-56(28-19-30-58(64)67)55-26-13-16-32-62(55)68(49-38-34-45(35-39-49)44-20-8-7-9-21-44)61-31-15-12-25-54(61)51-27-18-23-46-22-10-11-24-50(46)51/h7-43H,1-6H3
InChIKeyZWBDPNLPEVNYIQ-UHFFFAOYSA-N
MW890.18 g/mol
LogP18.37
Rot. Bonds6

About 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline

2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 174293743) has the molecular formula C67H55NO and a molecular weight of 890.18 g/mol. Its IUPAC name is 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID174293743
Molecular FormulaC67H55NO
Molecular Weight890.18 g/mol
Exact Mass889.43
IUPAC Name2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3c(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4cccc5ccccc45)cccc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C67H55NO/c1-65(2,3)47-36-40-52-53-41-37-48(66(4,5)6)43-60(53)67(59(52)42-47)57-29-14-17-33-63(57)69-64-56(28-19-30-58(64)67)55-26-13-16-32-62(55)68(49-38-34-45(35-39-49)44-20-8-7-9-21-44)61-31-15-12-25-54(61)51-27-18-23-46-22-10-11-24-50(46)51/h7-43H,1-6H3
InChIKeyZWBDPNLPEVNYIQ-UHFFFAOYSA-N
XLogP18.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.18
LogP ≤ 518.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 174293899
2,7-ditert-butyl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174280707
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862
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-(4-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170117072
N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 170116159
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 174159235
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153715
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-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281956

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline (CID 174293743) is 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3c(-c4ccccc4N(c4ccc(-c5ccccc5)cc4)c4ccccc4-c4cccc5ccccc45)cccc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is ZWBDPNLPEVNYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H55NO/c1-65(2,3)47-36-40-52-53-41-37-48(66(4,5)6)43-60(53)67(59(52)42-47)57-29-14-17-33-63(57)69-64-56(28-19-30-58(64)67)55-26-13-16-32-62(55)68(49-38-34-45(35-39-49)44-20-8-7-9-21-44)61-31-15-12-25-54(61)51-27-18-23-46-22-10-11-24-50(46)51/h7-43H,1-6H3.
What are the key properties of 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 890.18 g/mol, XLogP of 18.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 174293743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).