N-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine

C48H39N — CID 123669993

IUPACN-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine
SMILESCC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(C=Cc3ccc4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c3)ccc12
InChIInChI=1S/C48H39N/c1-47(2)43-17-11-10-16-41(43)45-46(47)42-27-21-33(29-44(42)48(45,3)4)19-18-32-20-22-37-31-40(26-24-36(37)28-32)49(38-14-6-5-7-15-38)39-25-23-34-12-8-9-13-35(34)30-39/h5-31H,1-4H3
InChIKeyCGQRRORGPOOOIA-UHFFFAOYSA-N
MW629.85 g/mol
LogP13.13
Rot. Bonds5

About N-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine

N-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine (PubChem CID 123669993) has the molecular formula C48H39N and a molecular weight of 629.85 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine
PubChem CID123669993
Molecular FormulaC48H39N
Molecular Weight629.85 g/mol
Exact Mass629.31
IUPAC NameN-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine
SMILESCC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(C=Cc3ccc4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c3)ccc12
InChIInChI=1S/C48H39N/c1-47(2)43-17-11-10-16-41(43)45-46(47)42-27-21-33(29-44(42)48(45,3)4)19-18-32-20-22-37-31-40(26-24-36(37)28-32)49(38-14-6-5-7-15-38)39-25-23-34-12-8-9-13-35(34)30-39/h5-31H,1-4H3
InChIKeyCGQRRORGPOOOIA-UHFFFAOYSA-N
XLogP13.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.85
LogP ≤ 513.13
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-[2-[9,9-diphenyl-7-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)fluoren-2-yl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 123471672
7-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-yl-4-phenylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89067755
N-(2-fluoro-4,6-diphenylphenyl)-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine
CID 123512775
9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067733
7-[(E)-2-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 59246385
N-[4-[(E)-2-[4-(dinaphthalen-2-ylamino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[(E)-2-[2'-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]-9,9'-spirobi[fluorene]-2-yl]ethenyl]aniline
CID 163547674
7-[(E)-2-[7-(4-tert-butyl-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074720
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89067686
2-methyl-N-phenyl-N-[4-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]phenyl]aniline
CID 123509088
7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 59246115
N-(9,9-dimethylfluoren-2-yl)-7-[(E)-2-[4-[4-[4-[(E)-2-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59246228
7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-ylfluoren-2-amine
CID 59246107

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine?
The IUPAC name of N-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine (CID 123669993) is N-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine?
The canonical SMILES for N-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine is CC1(C)C2=C(c3ccccc31)C(C)(C)c1cc(C=Cc3ccc4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c3)ccc12.
What is the InChIKey of N-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine?
The InChIKey is CGQRRORGPOOOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N/c1-47(2)43-17-11-10-16-41(43)45-46(47)42-27-21-33(29-44(42)48(45,3)4)19-18-32-20-22-37-31-40(26-24-36(37)28-32)49(38-14-6-5-7-15-38)39-25-23-34-12-8-9-13-35(34)30-39/h5-31H,1-4H3.
What are the key properties of N-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine?
N-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine has a molecular weight of 629.85 g/mol, XLogP of 13.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-phenyl-6-[2-(5,5,10,10-tetramethylindeno[2,1-a]inden-2-yl)ethenyl]naphthalen-2-amine is sourced from PubChem (CID 123669993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).