2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine

C46H43FN2 — CID 23593087

IUPAC2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine
SMILESCc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(C)ccc2-3)c2ccc3c(c2)C(C)(C)c2cc(N(C)c4ccc(F)cc4)ccc2-3)c(C)c1
InChIInChI=1S/C46H43FN2/c1-28-10-22-44(30(3)23-28)49(34-16-20-38-36-18-9-29(2)24-40(36)45(4,5)42(38)26-34)35-17-21-39-37-19-15-33(25-41(37)46(6,7)43(39)27-35)48(8)32-13-11-31(47)12-14-32/h9-27H,1-8H3
InChIKeyJOOPOMZEXSMWKJ-UHFFFAOYSA-N
MW642.86 g/mol
LogP12.60
Rot. Bonds5

About 2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine

2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine (PubChem CID 23593087) has the molecular formula C46H43FN2 and a molecular weight of 642.86 g/mol. Its IUPAC name is 2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine
PubChem CID23593087
Molecular FormulaC46H43FN2
Molecular Weight642.86 g/mol
Exact Mass642.34
IUPAC Name2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine
SMILESCc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(C)ccc2-3)c2ccc3c(c2)C(C)(C)c2cc(N(C)c4ccc(F)cc4)ccc2-3)c(C)c1
InChIInChI=1S/C46H43FN2/c1-28-10-22-44(30(3)23-28)49(34-16-20-38-36-18-9-29(2)24-40(36)45(4,5)42(38)26-34)35-17-21-39-37-19-15-33(25-41(37)46(6,7)43(39)27-35)48(8)32-13-11-31(47)12-14-32/h9-27H,1-8H3
InChIKeyJOOPOMZEXSMWKJ-UHFFFAOYSA-N
XLogP12.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.86
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenyl)phenyl]-2-N-phenylfluorene-2,7-diamine
CID 23593183
N-(3,4-dimethoxyphenyl)-N,7,9,9-tetramethylfluoren-2-amine
CID 23597829
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
N,7,9,9-tetramethyl-N-[3-(trifluoromethyl)phenyl]fluoren-2-amine
CID 23593235
N-[4-[4-(4-fluoro-N-methylanilino)phenyl]phenyl]-2,4-dimethyl-N-[4-(4-methylphenyl)phenyl]aniline;N-[4-[4-(4-fluoro-N-methylanilino)phenyl]phenyl]-3,4-dimethyl-N-[4-(4-methylphenyl)phenyl]aniline;N-[4-[4-(4-fluoro-N-methylanilino)phenyl]phenyl]-4-methyl-N-[4-(4-methylphenyl)phenyl]aniline;4-methyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-[N-methyl-4-(trifluoromethyl)anilino]phenyl]phenyl]aniline
CID 159616111
N-(4-fluorophenyl)-N,7-dimethyl-9H-fluoren-2-amine
CID 23597859
2,7,9,9-tetramethylfluorene
CID 22951928
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
N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine
CID 163882146
7,9,9-trimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 70902516
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N,4-N,4-N-tetrakis(9,9-dimethylfluoren-2-yl)-2-methylbenzene-1,4-diamine
CID 158320623
N-[4-[4-[N-(2,4-dimethylphenyl)-4-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-N,2,4-trimethylaniline
CID 23594446

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine?
The IUPAC name of 2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine (CID 23593087) is 2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine?
The canonical SMILES for 2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine is Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(C)ccc2-3)c2ccc3c(c2)C(C)(C)c2cc(N(C)c4ccc(F)cc4)ccc2-3)c(C)c1.
What is the InChIKey of 2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine?
The InChIKey is JOOPOMZEXSMWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H43FN2/c1-28-10-22-44(30(3)23-28)49(34-16-20-38-36-18-9-29(2)24-40(36)45(4,5)42(38)26-34)35-17-21-39-37-19-15-33(25-41(37)46(6,7)43(39)27-35)48(8)32-13-11-31(47)12-14-32/h9-27H,1-8H3.
What are the key properties of 2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine?
2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine has a molecular weight of 642.86 g/mol, XLogP of 12.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylphenyl)-7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine is sourced from PubChem (CID 23593087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).