N-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline

C48H50N2 — CID 146713055

IUPACN-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)C(C)c2ccc3c(c2)C(C)(C)c2cc(C(C)(C)N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1
InChIInChI=1S/C48H50N2/c1-32-10-20-39(21-11-32)49(40-22-12-33(2)13-23-40)36(5)37-18-28-43-44-29-19-38(31-46(44)47(6,7)45(43)30-37)48(8,9)50(41-24-14-34(3)15-25-41)42-26-16-35(4)17-27-42/h10-31,36H,1-9H3
InChIKeyRCIGHTLWNUCFMQ-UHFFFAOYSA-N
MW654.94 g/mol
LogP13.20
Rot. Bonds8

About N-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline

N-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 146713055) has the molecular formula C48H50N2 and a molecular weight of 654.94 g/mol. Its IUPAC name is N-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID146713055
Molecular FormulaC48H50N2
Molecular Weight654.94 g/mol
Exact Mass654.40
IUPAC NameN-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)C(C)c2ccc3c(c2)C(C)(C)c2cc(C(C)(C)N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1
InChIInChI=1S/C48H50N2/c1-32-10-20-39(21-11-32)49(40-22-12-33(2)13-23-40)36(5)37-18-28-43-44-29-19-38(31-46(44)47(6,7)45(43)30-37)48(8,9)50(41-24-14-34(3)15-25-41)42-26-16-35(4)17-27-42/h10-31,36H,1-9H3
InChIKeyRCIGHTLWNUCFMQ-UHFFFAOYSA-N
XLogP13.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.94
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[1-(4-methylphenyl)ethyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 135293630
2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene
CID 90463480
N-[3-(9,9-dimethyl-7-pentan-3-ylfluoren-2-yl)hexan-3-yl]-4-methyl-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
CID 89345053
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
2,7,9,9-tetramethylfluorene
CID 22951928
3,5-bis(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N,N-bis(4-tert-butylphenyl)-4-methylaniline
CID 58389712
4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene
CID 91449585
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,5-dimethyl-N-propan-2-ylaniline
CID 59307879
bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane
CID 58738500
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene
CID 58986962
7-[(E)-2-[7-(N-(4-tert-butylphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89068171
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-propan-2-ylaniline
CID 59307898

Frequently Asked Questions

What is the IUPAC name of N-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline (CID 146713055) is N-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)C(C)c2ccc3c(c2)C(C)(C)c2cc(C(C)(C)N(c4ccc(C)cc4)c4ccc(C)cc4)ccc2-3)cc1.
What is the InChIKey of N-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is RCIGHTLWNUCFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H50N2/c1-32-10-20-39(21-11-32)49(40-22-12-33(2)13-23-40)36(5)37-18-28-43-44-29-19-38(31-46(44)47(6,7)45(43)30-37)48(8,9)50(41-24-14-34(3)15-25-41)42-26-16-35(4)17-27-42/h10-31,36H,1-9H3.
What are the key properties of N-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 654.94 g/mol, XLogP of 13.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 146713055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).