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

C110H107BrN2 — CID 161473827

IUPAC1-(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
SMILESCC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.Cc1cc(-c2c3ccccc3c(Br)c3ccccc23)c2ccc3cc(C(C)(C)C)cc4ccc1c2c43.Cc1cc(-c2c3ccccc3c(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c3ccccc23)c2ccc3cc(C(C)(C)C)cc4ccc1c2c43
InChIInChI=1S/C55H53N.C35H27Br.C20H27N/c1-34-31-48(45-30-20-36-33-39(55(8,9)10)32-35-19-29-42(34)51(45)49(35)36)50-43-15-11-13-17-46(43)52(47-18-14-12-16-44(47)50)56(40-25-21-37(22-26-40)53(2,3)4)41-27-23-38(24-28-41)54(5,6)7;1-20-17-30(32-25-9-5-7-11-28(25)34(36)29-12-8-6-10-26(29)32)27-16-14-22-19-23(35(2,3)4)18-21-13-15-24(20)33(27)31(21)22;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h11-33H,1-10H3;5-19H,1-4H3;7-14,21H,1-6H3
InChIKeyWDLFLMSDIYKSGG-UHFFFAOYSA-N
MW1536.98 g/mol
LogP33.18
Rot. Bonds7

About 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

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 (PubChem CID 161473827) has the molecular formula C110H107BrN2 and a molecular weight of 1536.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID161473827
Molecular FormulaC110H107BrN2
Molecular Weight1536.98 g/mol
Exact Mass1534.76
IUPAC Name1-(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
SMILESCC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.Cc1cc(-c2c3ccccc3c(Br)c3ccccc23)c2ccc3cc(C(C)(C)C)cc4ccc1c2c43.Cc1cc(-c2c3ccccc3c(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c3ccccc23)c2ccc3cc(C(C)(C)C)cc4ccc1c2c43
InChIInChI=1S/C55H53N.C35H27Br.C20H27N/c1-34-31-48(45-30-20-36-33-39(55(8,9)10)32-35-19-29-42(34)51(45)49(35)36)50-43-15-11-13-17-46(43)52(47-18-14-12-16-44(47)50)56(40-25-21-37(22-26-40)53(2,3)4)41-27-23-38(24-28-41)54(5,6)7;1-20-17-30(32-25-9-5-7-11-28(25)34(36)29-12-8-6-10-26(29)32)27-16-14-22-19-23(35(2,3)4)18-21-13-15-24(20)33(27)31(21)22;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h11-33H,1-10H3;5-19H,1-4H3;7-14,21H,1-6H3
InChIKeyWDLFLMSDIYKSGG-UHFFFAOYSA-N
XLogP33.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001536.98
LogP ≤ 533.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 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-(7-tert-butyl-3-methylpyren-1-yl)phenyl]-N,N-bis(4-tert-butylphenyl)anthracen-9-amine
CID 88938174
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
8-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]pyren-1-amine
CID 171053181
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
10-[3,5-bis(10-bromoanthracen-9-yl)phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 58722432
9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371111
9-N,10-N-bis(4-bromophenyl)-9-N,10-N-bis(4-tert-butylphenyl)anthracene-9,10-diamine
CID 59180638
7-tert-butyl-1,3-dimethylpyrene
CID 10446723
9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-dinaphthalen-2-ylanthracene-9,10-diamine
CID 59133433
7-tert-butyl-1-methyl-3-(6-phenanthren-2-ylnaphthalen-2-yl)pyrene
CID 59629648
9-N,10-N-bis(4-tert-butyl-2,6-dimethylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371061
9-N,10-N-bis(4-bromophenyl)-2,6-ditert-butyl-9-N,10-N-bis(4-tert-butylphenyl)anthracene-9,10-diamine
CID 59372230

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.Cc1cc(-c2c3ccccc3c(Br)c3ccccc23)c2ccc3cc(C(C)(C)C)cc4ccc1c2c43.Cc1cc(-c2c3ccccc3c(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c3ccccc23)c2ccc3cc(C(C)(C)C)cc4ccc1c2c43.
What is the InChIKey of 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?
The InChIKey is WDLFLMSDIYKSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H53N.C35H27Br.C20H27N/c1-34-31-48(45-30-20-36-33-39(55(8,9)10)32-35-19-29-42(34)51(45)49(35)36)50-43-15-11-13-17-46(43)52(47-18-14-12-16-44(47)50)56(40-25-21-37(22-26-40)53(2,3)4)41-27-23-38(24-28-41)54(5,6)7;1-20-17-30(32-25-9-5-7-11-28(25)34(36)29-12-8-6-10-26(29)32)27-16-14-22-19-23(35(2,3)4)18-21-13-15-24(20)33(27)31(21)22;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h11-33H,1-10H3;5-19H,1-4H3;7-14,21H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1536.98 g/mol, XLogP of 33.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161473827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).