N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine

C39H34Br2N2 — CID 142500207

IUPACN,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine
SMILESCN1C(C)(C)c2ccc(-c3c4ccccc4c(N(c4ccc(Br)cc4)c4ccc(Br)cc4)c4ccccc34)cc2C1(C)C
InChIInChI=1S/C39H34Br2N2/c1-38(2)34-23-14-25(24-35(34)39(3,4)42(38)5)36-30-10-6-8-12-32(30)37(33-13-9-7-11-31(33)36)43(28-19-15-26(40)16-20-28)29-21-17-27(41)18-22-29/h6-24H,1-5H3
InChIKeySLZBKPYWNJXNKT-UHFFFAOYSA-N
MW690.52 g/mol
LogP12.07
Rot. Bonds4

About N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine

N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine (PubChem CID 142500207) has the molecular formula C39H34Br2N2 and a molecular weight of 690.52 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine
PubChem CID142500207
Molecular FormulaC39H34Br2N2
Molecular Weight690.52 g/mol
Exact Mass688.11
IUPAC NameN,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine
SMILESCN1C(C)(C)c2ccc(-c3c4ccccc4c(N(c4ccc(Br)cc4)c4ccc(Br)cc4)c4ccccc34)cc2C1(C)C
InChIInChI=1S/C39H34Br2N2/c1-38(2)34-23-14-25(24-35(34)39(3,4)42(38)5)36-30-10-6-8-12-32(30)37(33-13-9-7-11-31(33)36)43(28-19-15-26(40)16-20-28)29-21-17-27(41)18-22-29/h6-24H,1-5H3
InChIKeySLZBKPYWNJXNKT-UHFFFAOYSA-N
XLogP12.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.52
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(4-bromophenyl)-10-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)anthracen-9-amine
CID 142500623
3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,2,3,3-pentamethylisoindol-5-yl)benzene-1,3-diamine
CID 142500563
2-hydroxy-5-[10-(2-hydroxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole
CID 143568383
10-[3,5-bis(10-bromoanthracen-9-yl)phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 58722432
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
3,6-dibromo-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-9-amine
CID 142733125
10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine
CID 154593004
9-N,10-N-bis(4-bromophenyl)-9-N,10-N-bis(4-tert-butylphenyl)anthracene-9,10-diamine
CID 59180638
9-methyl-N-phenyl-N-(10-phenylanthracen-9-yl)carbazol-3-amine
CID 58273861
2-hydroxy-5-[10-(2-methoxy-1,1,3,3-tetramethylisoindol-5-yl)anthracen-9-yl]-1,1,3,3-tetramethylisoindole
CID 89323588
ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143650300
N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-amine
CID 58273901

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine?
The IUPAC name of N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine (CID 142500207) is N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine.
What is the SMILES notation for N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine?
The canonical SMILES for N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine is CN1C(C)(C)c2ccc(-c3c4ccccc4c(N(c4ccc(Br)cc4)c4ccc(Br)cc4)c4ccccc34)cc2C1(C)C.
What is the InChIKey of N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine?
The InChIKey is SLZBKPYWNJXNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34Br2N2/c1-38(2)34-23-14-25(24-35(34)39(3,4)42(38)5)36-30-10-6-8-12-32(30)37(33-13-9-7-11-31(33)36)43(28-19-15-26(40)16-20-28)29-21-17-27(41)18-22-29/h6-24H,1-5H3.
What are the key properties of N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine?
N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine has a molecular weight of 690.52 g/mol, XLogP of 12.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine is sourced from PubChem (CID 142500207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).