N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline

C55H37N — CID 164744457

IUPACN-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline
SMILESC1=C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)C2(c3ccccc31)c1ccccc1-c1ccccc12
InChIInChI=1S/C55H37N/c1-2-12-38(13-3-1)40-24-30-46(31-25-40)56(47-32-26-41(27-33-47)44-23-22-39-14-4-5-15-43(39)36-44)48-34-28-42(29-35-48)54-37-45-16-6-9-19-51(45)55(54)52-20-10-7-17-49(52)50-18-8-11-21-53(50)55/h1-37H
InChIKeyRRHSFJXAFRNQGK-UHFFFAOYSA-N
MW711.91 g/mol
LogP14.51
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline

N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline (PubChem CID 164744457) has the molecular formula C55H37N and a molecular weight of 711.91 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline
PubChem CID164744457
Molecular FormulaC55H37N
Molecular Weight711.91 g/mol
Exact Mass711.29
IUPAC NameN-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline
SMILESC1=C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)C2(c3ccccc31)c1ccccc1-c1ccccc12
InChIInChI=1S/C55H37N/c1-2-12-38(13-3-1)40-24-30-46(31-25-40)56(47-32-26-41(27-33-47)44-23-22-39-14-4-5-15-43(39)36-44)48-34-28-42(29-35-48)54-37-45-16-6-9-19-51(45)55(54)52-20-10-7-17-49(52)50-18-8-11-21-53(50)55/h1-37H
InChIKeyRRHSFJXAFRNQGK-UHFFFAOYSA-N
XLogP14.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.91
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine
CID 164744757
N,N-bis[4-(1,1-diphenylinden-2-yl)phenyl]naphthalen-2-amine
CID 164744844
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 164744877
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 146540100
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566284
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine
CID 167177758
1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine
CID 121361321
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 159388260

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline (CID 164744457) is N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline is C1=C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)C2(c3ccccc31)c1ccccc1-c1ccccc12.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline?
The InChIKey is RRHSFJXAFRNQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N/c1-2-12-38(13-3-1)40-24-30-46(31-25-40)56(47-32-26-41(27-33-47)44-23-22-39-14-4-5-15-43(39)36-44)48-34-28-42(29-35-48)54-37-45-16-6-9-19-51(45)55(54)52-20-10-7-17-49(52)50-18-8-11-21-53(50)55/h1-37H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline?
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline has a molecular weight of 711.91 g/mol, XLogP of 14.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline is sourced from PubChem (CID 164744457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).