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

C53H35NO — CID 139355134

IUPACN-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)c3ccccc3c2)cc1
InChIInChI=1S/C53H35NO/c1-3-16-36(17-4-1)39-34-38-18-7-8-21-42(38)44(35-39)37-30-32-41(33-31-37)54(40-19-5-2-6-20-40)49-27-15-26-48-52(49)43-22-9-10-23-45(43)53(48)46-24-11-13-28-50(46)55-51-29-14-12-25-47(51)53/h1-35H
InChIKeyDEJWSDGOEJUPNP-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.11
Rot. Bonds5

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

N-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 139355134) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is N-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
PubChem CID139355134
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC NameN-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)c3ccccc3c2)cc1
InChIInChI=1S/C53H35NO/c1-3-16-36(17-4-1)39-34-38-18-7-8-21-42(38)44(35-39)37-30-32-41(33-31-37)54(40-19-5-2-6-20-40)49-27-15-26-48-52(49)43-22-9-10-23-45(43)53(48)46-24-11-13-28-50(46)55-51-29-14-12-25-47(51)53/h1-35H
InChIKeyDEJWSDGOEJUPNP-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-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355194
N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 166031994
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476259
N-[4-(3-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 159195923
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 160562558
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]-N-(2-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138477697
N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 170117119
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138475982
N-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4-yl-N-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)aniline
CID 138477025
N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]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]-4'-amine
CID 140918851
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481361

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine?
The IUPAC name of N-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine (CID 139355134) is N-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine.
What is the SMILES notation for N-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine?
The canonical SMILES for N-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine is c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4-c4ccccc4C54c5ccccc5Oc5ccccc54)cc3)c3ccccc3c2)cc1.
What is the InChIKey of N-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine?
The InChIKey is DEJWSDGOEJUPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-3-16-36(17-4-1)39-34-38-18-7-8-21-42(38)44(35-39)37-30-32-41(33-31-37)54(40-19-5-2-6-20-40)49-27-15-26-48-52(49)43-22-9-10-23-45(43)53(48)46-24-11-13-28-50(46)55-51-29-14-12-25-47(51)53/h1-35H.
What are the key properties of N-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine?
N-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-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-phenyl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 139355134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).