N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C48H46BrN — CID 177269868

IUPACN-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c(cc4Br)C(C)(C)C(C)(C)C5(C)C)cc3)cc21
InChIInChI=1S/C48H46BrN/c1-45(2)40-17-13-12-16-37(40)38-27-26-36(28-41(38)45)50(34-22-18-32(19-23-34)31-14-10-9-11-15-31)35-24-20-33(21-25-35)39-29-42-43(30-44(39)49)47(5,6)48(7,8)46(42,3)4/h9-30H,1-8H3
InChIKeyHPCWYKMLEFNTHA-UHFFFAOYSA-N
MW716.81 g/mol
LogP14.15
Rot. Bonds5

About N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 177269868) has the molecular formula C48H46BrN and a molecular weight of 716.81 g/mol. Its IUPAC name is N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID177269868
Molecular FormulaC48H46BrN
Molecular Weight716.81 g/mol
Exact Mass715.28
IUPAC NameN-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c(cc4Br)C(C)(C)C(C)(C)C5(C)C)cc3)cc21
InChIInChI=1S/C48H46BrN/c1-45(2)40-17-13-12-16-37(40)38-27-26-36(28-41(38)45)50(34-22-18-32(19-23-34)31-14-10-9-11-15-31)35-24-20-33(21-25-35)39-29-42-43(30-44(39)49)47(5,6)48(7,8)46(42,3)4/h9-30H,1-8H3
InChIKeyHPCWYKMLEFNTHA-UHFFFAOYSA-N
XLogP14.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.81
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-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-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)-2,3,5,6-tetradeuteriophenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 177269906
N-[4-[3-(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177084420
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[3-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 177269838
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-[1,1,2,2,3,3-hexamethyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]inden-5-yl]-9,9-dimethyl-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
CID 177269809
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 177269868) is N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c(cc4Br)C(C)(C)C(C)(C)C5(C)C)cc3)cc21.
What is the InChIKey of N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is HPCWYKMLEFNTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46BrN/c1-45(2)40-17-13-12-16-37(40)38-27-26-36(28-41(38)45)50(34-22-18-32(19-23-34)31-14-10-9-11-15-31)35-24-20-33(21-25-35)39-29-42-43(30-44(39)49)47(5,6)48(7,8)46(42,3)4/h9-30H,1-8H3.
What are the key properties of N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 716.81 g/mol, XLogP of 14.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-bromo-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 177269868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).