2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene

C85H75BrN2 — CID 160896275

IUPAC2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(Br)cc21.Cc1cccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(-c3cccc(C)c3)c2)c1.Cc1cccc(-c2ccc(N)c(-c3cccc(C)c3)c2)c1
InChIInChI=1S/C50H43N.C20H19N.C15H13Br/c1-32-13-11-15-34(27-32)35-21-26-48(43(29-35)36-16-12-14-33(2)28-36)51(37-22-24-41-39-17-7-9-19-44(39)49(3,4)46(41)30-37)38-23-25-42-40-18-8-10-20-45(40)50(5,6)47(42)31-38;1-14-5-3-7-16(11-14)17-9-10-20(21)19(13-17)18-8-4-6-15(2)12-18;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h7-31H,1-6H3;3-13H,21H2,1-2H3;3-9H,1-2H3
InChIKeySOXKOCDOONOYOX-UHFFFAOYSA-N
MW1204.45 g/mol
LogP23.69
Rot. Bonds7

About 2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene

2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene (PubChem CID 160896275) has the molecular formula C85H75BrN2 and a molecular weight of 1204.45 g/mol. Its IUPAC name is 2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene.

Molecular Properties

Compound Name2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene
PubChem CID160896275
Molecular FormulaC85H75BrN2
Molecular Weight1204.45 g/mol
Exact Mass1202.51
IUPAC Name2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene
SMILESCC1(C)c2ccccc2-c2ccc(Br)cc21.Cc1cccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(-c3cccc(C)c3)c2)c1.Cc1cccc(-c2ccc(N)c(-c3cccc(C)c3)c2)c1
InChIInChI=1S/C50H43N.C20H19N.C15H13Br/c1-32-13-11-15-34(27-32)35-21-26-48(43(29-35)36-16-12-14-33(2)28-36)51(37-22-24-41-39-17-7-9-19-44(39)49(3,4)46(41)30-37)38-23-25-42-40-18-8-10-20-45(40)50(5,6)47(42)31-38;1-14-5-3-7-16(11-14)17-9-10-20(21)19(13-17)18-8-4-6-15(2)12-18;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h7-31H,1-6H3;3-13H,21H2,1-2H3;3-9H,1-2H3
InChIKeySOXKOCDOONOYOX-UHFFFAOYSA-N
XLogP23.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001204.45
LogP ≤ 523.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene 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

N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168801663
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155220965
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]fluoren-2-amine;N-(2,4-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 158711981
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-methyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 155220981
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylphenyl)-2-naphthalen-1-ylphenyl]fluoren-2-amine
CID 146579363
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(3-methylphenyl)phenyl]fluoren-2-amine
CID 155760461
N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 155623488
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(4-methylphenyl)-2-naphthalen-2-ylphenyl]fluoren-2-amine
CID 155181809
9,9-dimethyl-2-(3-methylphenyl)fluorene;ethane;methane
CID 144583357

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene?
The IUPAC name of 2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene (CID 160896275) is 2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene.
What is the SMILES notation for 2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene?
The canonical SMILES for 2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene is CC1(C)c2ccccc2-c2ccc(Br)cc21.Cc1cccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(-c3cccc(C)c3)c2)c1.Cc1cccc(-c2ccc(N)c(-c3cccc(C)c3)c2)c1.
What is the InChIKey of 2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene?
The InChIKey is SOXKOCDOONOYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N.C20H19N.C15H13Br/c1-32-13-11-15-34(27-32)35-21-26-48(43(29-35)36-16-12-14-33(2)28-36)51(37-22-24-41-39-17-7-9-19-44(39)49(3,4)46(41)30-37)38-23-25-42-40-18-8-10-20-45(40)50(5,6)47(42)31-38;1-14-5-3-7-16(11-14)17-9-10-20(21)19(13-17)18-8-4-6-15(2)12-18;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h7-31H,1-6H3;3-13H,21H2,1-2H3;3-9H,1-2H3.
What are the key properties of 2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene?
2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene has a molecular weight of 1204.45 g/mol, XLogP of 23.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-methylphenyl)aniline;N-[2,4-bis(3-methylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;2-bromo-9,9-dimethylfluorene is sourced from PubChem (CID 160896275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).