N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine

C39H35Br2NO — CID 154592939

IUPACN,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine
SMILES[2H]c1c([2H])c2c(c([2H])c1-c1cc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)c3oc4ccccc4c3c1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C39H35Br2NO/c1-37(2)32-20-11-24(22-33(32)38(3,4)39(37,5)6)25-21-31-30-9-7-8-10-35(30)43-36(31)34(23-25)42(28-16-12-26(40)13-17-28)29-18-14-27(41)15-19-29/h7-23H,1-6H3/i11D,20D,22D
InChIKeyBALGUTCNUIBZKC-SQZIFOJISA-N
MW696.54 g/mol
LogP12.84
Rot. Bonds4

About N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine

N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine (PubChem CID 154592939) has the molecular formula C39H35Br2NO and a molecular weight of 696.54 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine
PubChem CID154592939
Molecular FormulaC39H35Br2NO
Molecular Weight696.54 g/mol
Exact Mass694.13
IUPAC NameN,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine
SMILES[2H]c1c([2H])c2c(c([2H])c1-c1cc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)c3oc4ccccc4c3c1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C39H35Br2NO/c1-37(2)32-20-11-24(22-33(32)38(3,4)39(37,5)6)25-21-31-30-9-7-8-10-35(30)43-36(31)34(23-25)42(28-16-12-26(40)13-17-28)29-18-14-27(41)15-19-29/h7-23H,1-6H3/i11D,20D,22D
InChIKeyBALGUTCNUIBZKC-SQZIFOJISA-N
XLogP12.84
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.54
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine
CID 149470846
2-(1,1,2,3,3-pentamethylisoindol-5-yl)-N,N-diphenyldibenzofuran-4-amine
CID 154592854
2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine
CID 148775641
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-diphenyldibenzofuran-4-amine
CID 165031168
N,N-bis(4-bromophenyl)-2-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline;N,N-bis(4-bromophenyl)-2-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)aniline;N,N-bis(4-bromophenyl)-2-[1,1,2,2,3,3-hexakis(trideuteriomethyl)inden-5-yl]aniline;N,N-bis(4-bromophenyl)-2-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)aniline;N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
CID 162194947
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline
CID 140919277
N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine
CID 147984412
N,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170536283
9,9-dimethyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919240
N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 140919105
9,9-dimethyl-N,7-diphenyl-N-[4-[4-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]fluoren-2-amine
CID 67964222
N-[4-[4-(9,9-dimethylfluoren-2-yl)dibenzofuran-2-yl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 140919467

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine?
The IUPAC name of N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine (CID 154592939) is N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine.
What is the SMILES notation for N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine?
The canonical SMILES for N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine is [2H]c1c([2H])c2c(c([2H])c1-c1cc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)c3oc4ccccc4c3c1)C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine?
The InChIKey is BALGUTCNUIBZKC-SQZIFOJISA-N. The full InChI is InChI=1S/C39H35Br2NO/c1-37(2)32-20-11-24(22-33(32)38(3,4)39(37,5)6)25-21-31-30-9-7-8-10-35(30)43-36(31)34(23-25)42(28-16-12-26(40)13-17-28)29-18-14-27(41)15-19-29/h7-23H,1-6H3/i11D,20D,22D.
What are the key properties of N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine?
N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine has a molecular weight of 696.54 g/mol, XLogP of 12.84, 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)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine is sourced from PubChem (CID 154592939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).