1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine

C32H26Br2N2O2 — CID 101442769

IUPAC1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
SMILESCOc1ccccc1N(c1cccc(Br)c1)c1cccc(N(c2cccc(Br)c2)c2ccccc2OC)c1
InChIInChI=1S/C32H26Br2N2O2/c1-37-31-18-5-3-16-29(31)35(25-12-7-10-23(33)20-25)27-14-9-15-28(22-27)36(26-13-8-11-24(34)21-26)30-17-4-6-19-32(30)38-2/h3-22H,1-2H3
InChIKeyMBSHGCOOTOMTAU-UHFFFAOYSA-N
MW630.38 g/mol
LogP10.17
Rot. Bonds8

About 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine

1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine (PubChem CID 101442769) has the molecular formula C32H26Br2N2O2 and a molecular weight of 630.38 g/mol. Its IUPAC name is 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
PubChem CID101442769
Molecular FormulaC32H26Br2N2O2
Molecular Weight630.38 g/mol
Exact Mass628.04
IUPAC Name1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
SMILESCOc1ccccc1N(c1cccc(Br)c1)c1cccc(N(c2cccc(Br)c2)c2ccccc2OC)c1
InChIInChI=1S/C32H26Br2N2O2/c1-37-31-18-5-3-16-29(31)35(25-12-7-10-23(33)20-25)27-14-9-15-28(22-27)36(26-13-8-11-24(34)21-26)30-17-4-6-19-32(30)38-2/h3-22H,1-2H3
InChIKeyMBSHGCOOTOMTAU-UHFFFAOYSA-N
XLogP10.17
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.38
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-bromophenyl)phenyl]-2-methoxy-N-(2-methoxyphenyl)aniline
CID 68614299
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
CID 60965802
2-methoxy-N,N-bis(4-methoxyphenyl)aniline
CID 54235747
N-(3-bromophenyl)-N,2-dimethylaniline
CID 146003911
2-methoxy-4-[3-methoxy-4-(N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-phenylaniline
CID 14533990
3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline
CID 58500380
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-[4-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-1-N-naphthalen-1-ylbenzene-1,4-diamine;1-N-(2-methoxyphenyl)-4-N-[4-[4-[4-(N-(2-methoxyphenyl)anilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-[4-[4-(4-methyl-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino)phenyl]phenyl]-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine;1-N-(3-methylphenyl)-1-N-[4-[4-[N-(3-methylphenyl)-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]-4-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 160896783
2-methoxy-N,N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 154951531
3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155424037
4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene
CID 67003117
9-N,23-N-bis(2-methoxyphenyl)-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155362356
4-N-[4-(2,2-diphenylethenyl)phenyl]-1-N,4-N-bis(2-methoxyphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139847758

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine (CID 101442769) is 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine is COc1ccccc1N(c1cccc(Br)c1)c1cccc(N(c2cccc(Br)c2)c2ccccc2OC)c1.
What is the InChIKey of 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine?
The InChIKey is MBSHGCOOTOMTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Br2N2O2/c1-37-31-18-5-3-16-29(31)35(25-12-7-10-23(33)20-25)27-14-9-15-28(22-27)36(26-13-8-11-24(34)21-26)30-17-4-6-19-32(30)38-2/h3-22H,1-2H3.
What are the key properties of 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine?
1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine has a molecular weight of 630.38 g/mol, XLogP of 10.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(3-bromophenyl)-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine is sourced from PubChem (CID 101442769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).