4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline

C53H35NO — CID 167176702

IUPAC4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C53H35NO/c1-2-14-42(15-3-1)54(43-29-24-37(25-30-43)40-23-22-36-12-4-5-13-39(36)34-40)44-31-26-38(27-32-44)41-28-33-52-50(35-41)53(49-20-10-11-21-51(49)55-52)47-18-8-6-16-45(47)46-17-7-9-19-48(46)53/h1-35H
InChIKeyHEINVYYJEKJDFW-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.11
Rot. Bonds5

About 4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline

4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline (PubChem CID 167176702) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
PubChem CID167176702
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC Name4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C53H35NO/c1-2-14-42(15-3-1)54(43-29-24-37(25-30-43)40-23-22-36-12-4-5-13-39(36)34-40)44-31-26-38(27-32-44)41-28-33-52-50(35-41)53(49-20-10-11-21-51(49)55-52)47-18-8-6-16-45(47)46-17-7-9-19-48(46)53/h1-35H
InChIKeyHEINVYYJEKJDFW-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-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine
CID 167177758
N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline
CID 172539696
N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline
CID 172539697
N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240662
N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 167177755
N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794128
2-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 90154256
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)aniline
CID 167176728
N,N-bis[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365679
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 90365672

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline?
The IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline (CID 167176702) is 4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline.
What is the SMILES notation for 4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline?
The canonical SMILES for 4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline is c1ccc(N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline?
The InChIKey is HEINVYYJEKJDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-2-14-42(15-3-1)54(43-29-24-37(25-30-43)40-23-22-36-12-4-5-13-39(36)34-40)44-31-26-38(27-32-44)41-28-33-52-50(35-41)53(49-20-10-11-21-51(49)55-52)47-18-8-6-16-45(47)46-17-7-9-19-48(46)53/h1-35H.
What are the key properties of 4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline?
4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline 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 4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline is sourced from PubChem (CID 167176702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).