9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine

C70H59Br2N3 — CID 159224504

IUPAC9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
SMILESBrc1c2ccccc2c(Br)c2ccccc12.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1.Cc1ccc(Nc2ccc(C)cc2)cc1
InChIInChI=1S/C42H36N2.C14H8Br2.C14H15N/c1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h5-28H,1-4H3;1-8H;3-10,15H,1-2H3
InChIKeyKSCRHHCZXOIYKC-UHFFFAOYSA-N
MW1102.07 g/mol
LogP21.73
Rot. Bonds8

About 9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine

9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine (PubChem CID 159224504) has the molecular formula C70H59Br2N3 and a molecular weight of 1102.07 g/mol. Its IUPAC name is 9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine.

Molecular Properties

Compound Name9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
PubChem CID159224504
Molecular FormulaC70H59Br2N3
Molecular Weight1102.07 g/mol
Exact Mass1099.31
IUPAC Name9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
SMILESBrc1c2ccccc2c(Br)c2ccccc12.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1.Cc1ccc(Nc2ccc(C)cc2)cc1
InChIInChI=1S/C42H36N2.C14H8Br2.C14H15N/c1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h5-28H,1-4H3;1-8H;3-10,15H,1-2H3
InChIKeyKSCRHHCZXOIYKC-UHFFFAOYSA-N
XLogP21.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.07
LogP ≤ 521.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine 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

10-[3,5-bis(10-bromoanthracen-9-yl)phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 58722432
1-(10-bromoanthracen-9-yl)-7-tert-butyl-3-methylpyrene;4-tert-butyl-N-(4-tert-butylphenyl)aniline;10-(7-tert-butyl-3-methylpyren-1-yl)-N,N-bis(4-tert-butylphenyl)anthracen-9-amine
CID 161473827
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
CID 22013286
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 59133310
10-[3-methyl-5-[10-(4-methyl-N-(4-methylphenyl)anilino)anthracen-9-yl]phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 158552329
10-ethynyl-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 135243477
9-N,10-N-di(anthracen-9-yl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58612532
5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
CID 20730668
N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine
CID 20733629
1-N-[4-[4-(4-methylanilino)-N-phenanthren-2-ylanilino]phenyl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121338013
4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 21276065

Frequently Asked Questions

What is the IUPAC name of 9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
The IUPAC name of 9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine (CID 159224504) is 9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine.
What is the SMILES notation for 9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
The canonical SMILES for 9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine is Brc1c2ccccc2c(Br)c2ccccc12.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1.Cc1ccc(Nc2ccc(C)cc2)cc1.
What is the InChIKey of 9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
The InChIKey is KSCRHHCZXOIYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2.C14H8Br2.C14H15N/c1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36;15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h5-28H,1-4H3;1-8H;3-10,15H,1-2H3.
What are the key properties of 9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine has a molecular weight of 1102.07 g/mol, XLogP of 21.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibromoanthracene;4-methyl-N-(4-methylphenyl)aniline;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine is sourced from PubChem (CID 159224504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).