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

C49H33N — CID 164744757

IUPACN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine
SMILESC1=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)C2(c3ccccc31)c1ccccc1-c1ccccc12
InChIInChI=1S/C49H33N/c1-2-12-34(13-3-1)36-24-28-41(29-25-36)50(42-30-26-37(27-31-42)39-23-22-35-14-4-5-15-38(35)32-39)48-33-40-16-6-9-19-45(40)49(48)46-20-10-7-17-43(46)44-18-8-11-21-47(44)49/h1-33H
InChIKeyPDOSXRGLKPMXKS-UHFFFAOYSA-N
MW635.81 g/mol
LogP12.68
Rot. Bonds5

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

N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine (PubChem CID 164744757) has the molecular formula C49H33N and a molecular weight of 635.81 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine
PubChem CID164744757
Molecular FormulaC49H33N
Molecular Weight635.81 g/mol
Exact Mass635.26
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine
SMILESC1=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)C2(c3ccccc31)c1ccccc1-c1ccccc12
InChIInChI=1S/C49H33N/c1-2-12-34(13-3-1)36-24-28-41(29-25-36)50(42-30-26-37(27-31-42)39-23-22-35-14-4-5-15-38(35)32-39)48-33-40-16-6-9-19-45(40)49(48)46-20-10-7-17-43(46)44-18-8-11-21-47(44)49/h1-33H
InChIKeyPDOSXRGLKPMXKS-UHFFFAOYSA-N
XLogP12.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.81
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline
CID 164744457
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 146540100
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
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
N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine
CID 167177758
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
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine
CID 167177545
N-(4-naphthalen-2-ylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122470393

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine (CID 164744757) is N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine is C1=C(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)C2(c3ccccc31)c1ccccc1-c1ccccc12.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine?
The InChIKey is PDOSXRGLKPMXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N/c1-2-12-34(13-3-1)36-24-28-41(29-25-36)50(42-30-26-37(27-31-42)39-23-22-35-14-4-5-15-38(35)32-39)48-33-40-16-6-9-19-45(40)49(48)46-20-10-7-17-43(46)44-18-8-11-21-47(44)49/h1-33H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine?
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine has a molecular weight of 635.81 g/mol, XLogP of 12.68, 5 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)-N-(4-phenylphenyl)spiro[fluorene-9,1'-indene]-2'-amine is sourced from PubChem (CID 164744757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).