N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine

About N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine

N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine (PubChem CID 91399665) has the molecular formula C64H54N2 and a molecular weight of 851.15 g/mol. Its IUPAC name is N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name	N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
PubChem CID	91399665
Molecular Formula	C64H54N2
Molecular Weight	851.15 g/mol
Exact Mass	850.43
IUPAC Name	N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
SMILES	Cc1ccc(N(c2ccc(C=Cc3ccc(-c4ccc(N(c5ccc(C)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChI	InChI=1S/C64H54N2/c1-43-15-29-49(30-16-43)65(53-37-39-57-55-11-7-9-13-59(55)63(3,4)61(57)41-53)51-33-23-46(24-34-51)20-19-45-21-25-47(26-22-45)48-27-35-52(36-28-48)66(50-31-17-44(2)18-32-50)54-38-40-58-56-12-8-10-14-60(56)64(5,6)62(58)42-54/h7-42H,1-6H3
InChIKey	ZZWSXEKLOXBVEV-UHFFFAOYSA-N
XLogP	17.69
TPSA	6.48 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	9
Heavy Atoms	66
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.15
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine (CID 91399665) is N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine is Cc1ccc(N(c2ccc(C=Cc3ccc(-c4ccc(N(c5ccc(C)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.

What is the InChIKey of N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine?

The InChIKey is ZZWSXEKLOXBVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H54N2/c1-43-15-29-49(30-16-43)65(53-37-39-57-55-11-7-9-13-59(55)63(3,4)61(57)41-53)51-33-23-46(24-34-51)20-19-45-21-25-47(26-22-45)48-27-35-52(36-28-48)66(50-31-17-44(2)18-32-50)54-38-40-58-56-12-8-10-14-60(56)64(5,6)62(58)42-54/h7-42H,1-6H3.

What are the key properties of N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine?

N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine has a molecular weight of 851.15 g/mol, XLogP of 17.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 91399665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).