7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C39H32BrN — CID 144768218

IUPAC7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3C3=CC=CCC3)cc21
InChIInChI=1S/C39H32BrN/c1-39(2)36-25-30(40)19-23-34(36)35-24-22-32(26-37(35)39)41(31-20-17-28(18-21-31)27-11-5-3-6-12-27)38-16-10-9-15-33(38)29-13-7-4-8-14-29/h3-7,9-13,15-26H,8,14H2,1-2H3
InChIKeyMJULRDHLFIFMKK-UHFFFAOYSA-N
MW594.60 g/mol
LogP11.63
Rot. Bonds5

About 7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 144768218) has the molecular formula C39H32BrN and a molecular weight of 594.60 g/mol. Its IUPAC name is 7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID144768218
Molecular FormulaC39H32BrN
Molecular Weight594.60 g/mol
Exact Mass593.17
IUPAC Name7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3C3=CC=CCC3)cc21
InChIInChI=1S/C39H32BrN/c1-39(2)36-25-30(40)19-23-34(36)35-24-22-32(26-37(35)39)41(31-20-17-28(18-21-31)27-11-5-3-6-12-27)38-16-10-9-15-33(38)29-13-7-4-8-14-29/h3-7,9-13,15-26H,8,14H2,1-2H3
InChIKeyMJULRDHLFIFMKK-UHFFFAOYSA-N
XLogP11.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.60
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine 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-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 138723735
N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167235034
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 155027615
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
N-[4-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]naphthalen-1-yl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 118503357
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
CID 143993808
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[3-cyclohexa-1,3-dien-1-yl-4-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 134194351
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-5-phenyl-4,12-dihydro-3H-indeno[1,2-h]fluoren-9-amine
CID 170297032
2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 158074097
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155222794

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 144768218) is 7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(Br)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3C3=CC=CCC3)cc21.
What is the InChIKey of 7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is MJULRDHLFIFMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32BrN/c1-39(2)36-25-30(40)19-23-34(36)35-24-22-32(26-37(35)39)41(31-20-17-28(18-21-31)27-11-5-3-6-12-27)38-16-10-9-15-33(38)29-13-7-4-8-14-29/h3-7,9-13,15-26H,8,14H2,1-2H3.
What are the key properties of 7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 594.60 g/mol, XLogP of 11.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 144768218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).