N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine

C65H43NO — CID 170116159

IUPACN-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C65H43NO/c1-2-19-44(20-3-1)51-24-6-7-25-52(51)53-26-8-9-27-54(53)57-29-11-15-34-62(57)66(47-39-37-46(38-40-47)50-30-18-22-45-21-4-5-23-49(45)50)48-41-42-56-55-28-10-12-31-58(55)65(61(56)43-48)59-32-13-16-35-63(59)67-64-36-17-14-33-60(64)65/h1-43H
InChIKeyGAHDSRAAOPKTQJ-UHFFFAOYSA-N
MW854.07 g/mol
LogP17.45
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine

N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 170116159) has the molecular formula C65H43NO and a molecular weight of 854.07 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID170116159
Molecular FormulaC65H43NO
Molecular Weight854.07 g/mol
Exact Mass853.33
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C65H43NO/c1-2-19-44(20-3-1)51-24-6-7-25-52(51)53-26-8-9-27-54(53)57-29-11-15-34-62(57)66(47-39-37-46(38-40-47)50-30-18-22-45-21-4-5-23-49(45)50)48-41-42-56-55-28-10-12-31-58(55)65(61(56)43-48)59-32-13-16-35-63(59)67-64-36-17-14-33-60(64)65/h1-43H
InChIKeyGAHDSRAAOPKTQJ-UHFFFAOYSA-N
XLogP17.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine
CID 138477419
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160
N-phenyl-N-(5-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794070
N-(3-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789321
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167178058
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788327
N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477499
N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477446
N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 164794073
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-3'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138477897
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476565

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine (CID 170116159) is N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is GAHDSRAAOPKTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NO/c1-2-19-44(20-3-1)51-24-6-7-25-52(51)53-26-8-9-27-54(53)57-29-11-15-34-62(57)66(47-39-37-46(38-40-47)50-30-18-22-45-21-4-5-23-49(45)50)48-41-42-56-55-28-10-12-31-58(55)65(61(56)43-48)59-32-13-16-35-63(59)67-64-36-17-14-33-60(64)65/h1-43H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine?
N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 854.07 g/mol, XLogP of 17.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 170116159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).