2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine

C76H58Br2N4O2 — CID 164952868

IUPAC2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
SMILESCc1ccc(N(c2ccc(Br)cc2)c2ccc3oc4ccc(N(c5ccc(C)cc5)c5ccc(Br)cc5)cc4c3c2)cc1.Cc1ccc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4c3c2)cc1
InChIInChI=1S/C38H28Br2N2O.C38H30N2O/c1-25-3-11-29(12-4-25)41(31-15-7-27(39)8-16-31)33-19-21-37-35(23-33)36-24-34(20-22-38(36)43-37)42(30-13-5-26(2)6-14-30)32-17-9-28(40)10-18-32;1-27-13-17-31(18-14-27)39(29-9-5-3-6-10-29)33-21-23-37-35(25-33)36-26-34(22-24-38(36)41-37)40(30-11-7-4-8-12-30)32-19-15-28(2)16-20-32/h3-24H,1-2H3;3-26H,1-2H3
InChIKeyATUHSTUVJPECJM-UHFFFAOYSA-N
MW1219.13 g/mol
LogP23.81
Rot. Bonds12

About 2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine

2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine (PubChem CID 164952868) has the molecular formula C76H58Br2N4O2 and a molecular weight of 1219.13 g/mol. Its IUPAC name is 2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
PubChem CID164952868
Molecular FormulaC76H58Br2N4O2
Molecular Weight1219.13 g/mol
Exact Mass1216.29
IUPAC Name2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
SMILESCc1ccc(N(c2ccc(Br)cc2)c2ccc3oc4ccc(N(c5ccc(C)cc5)c5ccc(Br)cc5)cc4c3c2)cc1.Cc1ccc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4c3c2)cc1
InChIInChI=1S/C38H28Br2N2O.C38H30N2O/c1-25-3-11-29(12-4-25)41(31-15-7-27(39)8-16-31)33-19-21-37-35(23-33)36-24-34(20-22-38(36)43-37)42(30-13-5-26(2)6-14-30)32-17-9-28(40)10-18-32;1-27-13-17-31(18-14-27)39(29-9-5-3-6-10-29)33-21-23-37-35(25-33)36-26-34(22-24-38(36)41-37)40(30-11-7-4-8-12-30)32-19-15-28(2)16-20-32/h3-24H,1-2H3;3-26H,1-2H3
InChIKeyATUHSTUVJPECJM-UHFFFAOYSA-N
XLogP23.81
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001219.13
LogP ≤ 523.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine with MolForge

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Related Compounds

N-(4-bromophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118632283
8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 163712380
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
8-N-[8-(3-methyl-N-(3-methylphenyl)anilino)dibenzofuran-2-yl]-2-N-[4-[4-(4-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-2-N,8-N-bis(3-methylphenyl)dibenzofuran-2,8-diamine
CID 23594512
N,N-diphenyldibenzofuran-2-amine
CID 58038469
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N,16-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050312
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022088
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 145264526
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
CID 155360844

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The IUPAC name of 2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine (CID 164952868) is 2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The canonical SMILES for 2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine is Cc1ccc(N(c2ccc(Br)cc2)c2ccc3oc4ccc(N(c5ccc(C)cc5)c5ccc(Br)cc5)cc4c3c2)cc1.Cc1ccc(N(c2ccccc2)c2ccc3oc4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4c3c2)cc1.
What is the InChIKey of 2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
The InChIKey is ATUHSTUVJPECJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28Br2N2O.C38H30N2O/c1-25-3-11-29(12-4-25)41(31-15-7-27(39)8-16-31)33-19-21-37-35(23-33)36-24-34(20-22-38(36)43-37)42(30-13-5-26(2)6-14-30)32-17-9-28(40)10-18-32;1-27-13-17-31(18-14-27)39(29-9-5-3-6-10-29)33-21-23-37-35(25-33)36-26-34(22-24-38(36)41-37)40(30-11-7-4-8-12-30)32-19-15-28(2)16-20-32/h3-24H,1-2H3;3-26H,1-2H3.
What are the key properties of 2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine?
2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine has a molecular weight of 1219.13 g/mol, XLogP of 23.81, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine is sourced from PubChem (CID 164952868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).