N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

C59H39NO — CID 170240652

IUPACN-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2cc3c(cc2-c2ccccc2)C2(c4ccccc4O3)c3ccccc3-c3ccc(N(c4ccc5ccccc5c4)c4ccccc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C59H39NO/c1-4-19-41(20-5-1)47-26-13-16-30-56(47)60(45-33-32-40-18-10-11-25-44(40)36-45)46-34-35-49-48-27-12-14-28-52(48)59(54(49)37-46)53-29-15-17-31-57(53)61-58-39-51(43-23-8-3-9-24-43)50(38-55(58)59)42-21-6-2-7-22-42/h1-39H
InChIKeyZUZPFUDYAIFFSE-UHFFFAOYSA-N
MW777.97 g/mol
LogP15.78
Rot. Bonds6

About N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 170240652) has the molecular formula C59H39NO and a molecular weight of 777.97 g/mol. Its IUPAC name is N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID170240652
Molecular FormulaC59H39NO
Molecular Weight777.97 g/mol
Exact Mass777.30
IUPAC NameN-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2cc3c(cc2-c2ccccc2)C2(c4ccccc4O3)c3ccccc3-c3ccc(N(c4ccc5ccccc5c4)c4ccccc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C59H39NO/c1-4-19-41(20-5-1)47-26-13-16-30-56(47)60(45-33-32-40-18-10-11-25-44(40)36-45)46-34-35-49-48-27-12-14-28-52(48)59(54(49)37-46)53-29-15-17-31-57(53)61-58-39-51(43-23-8-3-9-24-43)50(38-55(58)59)42-21-6-2-7-22-42/h1-39H
InChIKeyZUZPFUDYAIFFSE-UHFFFAOYSA-N
XLogP15.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.97
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-2-yl-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240516
2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240643
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-7-amine
CID 138476359
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[b]fluorene-11,9'-xanthene]-3-amine
CID 138476453
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477897
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158116026
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160
N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476600
N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477446
N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477499
N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240655
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 N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 170240652) is N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2cc3c(cc2-c2ccccc2)C2(c4ccccc4O3)c3ccccc3-c3ccc(N(c4ccc5ccccc5c4)c4ccccc4-c4ccccc4)cc32)cc1.
What is the InChIKey of N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is ZUZPFUDYAIFFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39NO/c1-4-19-41(20-5-1)47-26-13-16-30-56(47)60(45-33-32-40-18-10-11-25-44(40)36-45)46-34-35-49-48-27-12-14-28-52(48)59(54(49)37-46)53-29-15-17-31-57(53)61-58-39-51(43-23-8-3-9-24-43)50(38-55(58)59)42-21-6-2-7-22-42/h1-39H.
What are the key properties of N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 777.97 g/mol, XLogP of 15.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 170240652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).