N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine

C62H39NO — CID 167178064

IUPACN-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C62H39NO/c1-2-17-42(18-3-1)63(57-31-16-24-49-48-23-8-13-29-54(48)62(60(49)57)52-27-11-6-21-46(52)47-22-7-12-28-53(47)62)43-36-33-40(34-37-43)41-35-38-56-59(39-41)64-58-32-15-14-30-55(58)61(56)50-25-9-4-19-44(50)45-20-5-10-26-51(45)61/h1-39H
InChIKeyLUCDTJYTNNEFRE-UHFFFAOYSA-N
MW814.00 g/mol
LogP15.64
Rot. Bonds4

About N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine

N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine (PubChem CID 167178064) has the molecular formula C62H39NO and a molecular weight of 814.00 g/mol. Its IUPAC name is N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine
PubChem CID167178064
Molecular FormulaC62H39NO
Molecular Weight814.00 g/mol
Exact Mass813.30
IUPAC NameN-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C62H39NO/c1-2-17-42(18-3-1)63(57-31-16-24-49-48-23-8-13-29-54(48)62(60(49)57)52-27-11-6-21-46(52)47-22-7-12-28-53(47)62)43-36-33-40(34-37-43)41-35-38-56-59(39-41)64-58-32-15-14-30-55(58)61(56)50-25-9-4-19-44(50)45-20-5-10-26-51(45)61/h1-39H
InChIKeyLUCDTJYTNNEFRE-UHFFFAOYSA-N
XLogP15.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.00
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
CID 170240704
N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476977
2-phenyl-N-[3-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)aniline
CID 167177854
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-1-amine
CID 146333673
2-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 90154256
N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)dibenzothiophen-1-amine
CID 167177336
N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 138476217
N-[4-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-2-yl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138477783
N-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138477632
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 158045243
N-[4-(4-phenylphenyl)phenyl]-2-spiro[fluorene-9,9'-xanthene]-3-yl-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138477818

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine (CID 167178064) is N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine is c1ccc(N(c2ccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is LUCDTJYTNNEFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO/c1-2-17-42(18-3-1)63(57-31-16-24-49-48-23-8-13-29-54(48)62(60(49)57)52-27-11-6-21-46(52)47-22-7-12-28-53(47)62)43-36-33-40(34-37-43)41-35-38-56-59(39-41)64-58-32-15-14-30-55(58)61(56)50-25-9-4-19-44(50)45-20-5-10-26-51(45)61/h1-39H.
What are the key properties of N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine?
N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 814.00 g/mol, XLogP of 15.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 167178064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).