9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine

C54H54N2 — CID 152787696

IUPAC9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine
SMILESCc1ccc(N(c2ccc3c(c2)C(C)(c2cc(C)cc(C)c2)c2cc(N(c4ccc(C)cc4)c4c(C)cc(C)cc4C)ccc2-3)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C54H54N2/c1-33-12-16-44(17-13-33)55(52-39(7)25-37(5)26-40(52)8)46-20-22-48-49-23-21-47(32-51(49)54(11,50(48)31-46)43-29-35(3)24-36(4)30-43)56(45-18-14-34(2)15-19-45)53-41(9)27-38(6)28-42(53)10/h12-32H,1-11H3
InChIKeyRZDOCKJZJAKMBK-UHFFFAOYSA-N
MW731.04 g/mol
LogP15.05
Rot. Bonds7

About 9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine

9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine (PubChem CID 152787696) has the molecular formula C54H54N2 and a molecular weight of 731.04 g/mol. Its IUPAC name is 9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine.

Molecular Properties

Compound Name9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine
PubChem CID152787696
Molecular FormulaC54H54N2
Molecular Weight731.04 g/mol
Exact Mass730.43
IUPAC Name9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine
SMILESCc1ccc(N(c2ccc3c(c2)C(C)(c2cc(C)cc(C)c2)c2cc(N(c4ccc(C)cc4)c4c(C)cc(C)cc4C)ccc2-3)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C54H54N2/c1-33-12-16-44(17-13-33)55(52-39(7)25-37(5)26-40(52)8)46-20-22-48-49-23-21-47(32-51(49)54(11,50(48)31-46)43-29-35(3)24-36(4)30-43)56(45-18-14-34(2)15-19-45)53-41(9)27-38(6)28-42(53)10/h12-32H,1-11H3
InChIKeyRZDOCKJZJAKMBK-UHFFFAOYSA-N
XLogP15.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.04
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-butyl-2,6-dimethylphenyl)-9-(3,5-dimethylphenyl)-9-methylfluorene-2,7-diamine
CID 134392992
1-N-(4-methylphenyl)-4-N-[4-(4-methyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]-1-N-[4-[N-(2,4,6-trimethylphenyl)-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)anilino]phenyl]-4-N-[4-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-N-[4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]anilino]phenyl]benzene-1,4-diamine
CID 59426653
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
2,4,6-trimethyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-[4-[4-[4-[4-(4-methyl-N-(2,4,6-trimethylphenyl)anilino)phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]-N-(2,4,6-trimethylphenyl)anilino]phenyl]phenyl]aniline
CID 90265211
2-N,2-N,2-N',2-N',7-N',7-N'-hexakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 138571645
9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 90029841
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
4-tert-butyl-2,6-dimethyl-N-(4-methylphenyl)-N-phenylaniline;2,7,9,9-tetramethylfluorene
CID 91449585
N-(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 59246124
1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine
CID 59480532
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine?
The IUPAC name of 9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine (CID 152787696) is 9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine.
What is the SMILES notation for 9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine?
The canonical SMILES for 9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine is Cc1ccc(N(c2ccc3c(c2)C(C)(c2cc(C)cc(C)c2)c2cc(N(c4ccc(C)cc4)c4c(C)cc(C)cc4C)ccc2-3)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine?
The InChIKey is RZDOCKJZJAKMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H54N2/c1-33-12-16-44(17-13-33)55(52-39(7)25-37(5)26-40(52)8)46-20-22-48-49-23-21-47(32-51(49)54(11,50(48)31-46)43-29-35(3)24-36(4)30-43)56(45-18-14-34(2)15-19-45)53-41(9)27-38(6)28-42(53)10/h12-32H,1-11H3.
What are the key properties of 9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine?
9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine has a molecular weight of 731.04 g/mol, XLogP of 15.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dimethylphenyl)-9-methyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis(2,4,6-trimethylphenyl)fluorene-2,7-diamine is sourced from PubChem (CID 152787696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).