1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene

C46H40BrN — CID 144558297

IUPAC1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(C4=CCCC=C4)cc3)c3ccc(-c4ccccc4)cc3)ccc(Br)c21.Cc1ccccc1
InChIInChI=1S/C39H32BrN.C7H8/c1-39(2)34-16-10-9-15-33(34)37-36(26-25-35(40)38(37)39)41(31-21-17-29(18-22-31)27-11-5-3-6-12-27)32-23-19-30(20-24-32)28-13-7-4-8-14-28;1-7-5-3-2-4-6-7/h3,5-7,9-26H,4,8H2,1-2H3;2-6H,1H3
InChIKeyGQVHCHQEYMSTLF-UHFFFAOYSA-N
MW686.74 g/mol
LogP13.62
Rot. Bonds5

About 1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene

1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene (PubChem CID 144558297) has the molecular formula C46H40BrN and a molecular weight of 686.74 g/mol. Its IUPAC name is 1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene.

Molecular Properties

Compound Name1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene
PubChem CID144558297
Molecular FormulaC46H40BrN
Molecular Weight686.74 g/mol
Exact Mass685.23
IUPAC Name1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(C4=CCCC=C4)cc3)c3ccc(-c4ccccc4)cc3)ccc(Br)c21.Cc1ccccc1
InChIInChI=1S/C39H32BrN.C7H8/c1-39(2)34-16-10-9-15-33(34)37-36(26-25-35(40)38(37)39)41(31-21-17-29(18-22-31)27-11-5-3-6-12-27)32-23-19-30(20-24-32)28-13-7-4-8-14-28;1-7-5-3-2-4-6-7/h3,5-7,9-26H,4,8H2,1-2H3;2-6H,1H3
InChIKeyGQVHCHQEYMSTLF-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.74
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene 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

1-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-N,2-N-bis(9,9-dimethylfluoren-2-yl)-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 139322169
4-cyclohexa-1,5-dien-1-yl-N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 146247654
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-amine
CID 142541184
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,2,3,3-tetramethyl-N-[2-(2-phenylphenyl)phenyl]inden-5-amine
CID 123612637
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-phenylphenyl)-3-[9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]aniline
CID 145084846
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine
CID 145303021
5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 134442738
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene?
The IUPAC name of 1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene (CID 144558297) is 1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene.
What is the SMILES notation for 1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene?
The canonical SMILES for 1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene is CC1(C)c2ccccc2-c2c(N(c3ccc(C4=CCCC=C4)cc3)c3ccc(-c4ccccc4)cc3)ccc(Br)c21.Cc1ccccc1.
What is the InChIKey of 1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene?
The InChIKey is GQVHCHQEYMSTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32BrN.C7H8/c1-39(2)34-16-10-9-15-33(34)37-36(26-25-35(40)38(37)39)41(31-21-17-29(18-22-31)27-11-5-3-6-12-27)32-23-19-30(20-24-32)28-13-7-4-8-14-28;1-7-5-3-2-4-6-7/h3,5-7,9-26H,4,8H2,1-2H3;2-6H,1H3.
What are the key properties of 1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene?
1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene has a molecular weight of 686.74 g/mol, XLogP of 13.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine;toluene is sourced from PubChem (CID 144558297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).