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

C53H35NO — CID 167176862

IUPACN-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C53H35NO/c1-2-16-36(17-3-1)40-21-8-12-29-49(40)54(50-30-14-19-37-18-4-5-20-41(37)50)39-34-32-38(33-35-39)42-24-15-28-48-52(42)55-51-31-13-11-27-47(51)53(48)45-25-9-6-22-43(45)44-23-7-10-26-46(44)53/h1-35H
InChIKeyBGWYSPHJVFLJQE-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.11
Rot. Bonds5

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

N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine (PubChem CID 167176862) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
PubChem CID167176862
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC NameN-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C53H35NO/c1-2-16-36(17-3-1)40-21-8-12-29-49(40)54(50-30-14-19-37-18-4-5-20-41(37)50)39-34-32-38(33-35-39)42-24-15-28-48-52(42)55-51-31-13-11-27-47(51)53(48)45-25-9-6-22-43(45)44-23-7-10-26-46(44)53/h1-35H
InChIKeyBGWYSPHJVFLJQE-UHFFFAOYSA-N
XLogP14.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-amine
CID 167176973
N-[4-(9,9-diphenylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118134188
N-[4-(9,9-dimethylxanthen-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 118133946
N-(2-phenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)naphthalen-1-amine
CID 138568539
N-naphthalen-1-yl-3'-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
CID 170240704
2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 174293743
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167178058
N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 170116159
CID 146184431
CID 146184431
2-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 90154256
N-(2-phenylphenyl)-N-(2-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 138568533
N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[a]fluorene-11,9'-xanthene]-7-amine
CID 138477419

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine (CID 167176862) is N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine?
The InChIKey is BGWYSPHJVFLJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-2-16-36(17-3-1)40-21-8-12-29-49(40)54(50-30-14-19-37-18-4-5-20-41(37)50)39-34-32-38(33-35-39)42-24-15-28-48-52(42)55-51-31-13-11-27-47(51)53(48)45-25-9-6-22-43(45)44-23-7-10-26-46(44)53/h1-35H.
What are the key properties of N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine?
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine has a molecular weight of 701.87 g/mol, XLogP of 14.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167176862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).