5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane

C135H107Br3N6S — CID 161270733

IUPAC5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane
SMILESBrc1cc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)c1.Brc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c1.C.C.C.Cc1ccc(N(c2ccc(C)cc2)c2cc(Br)cc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)cc1
InChIInChI=1S/C46H31BrN2.C44H35BrN2.C42H29BrN2S.3CH4/c47-38-29-41(48(39-25-23-32-11-1-3-15-36(32)27-39)45-21-9-17-34-13-5-7-19-43(34)45)31-42(30-38)49(40-26-24-33-12-2-4-16-37(33)28-40)46-22-10-18-35-14-6-8-20-44(35)46;1-32-13-23-40(24-14-32)47(41-25-15-33(2)16-26-41)44-30-38(45)29-43(31-44)46(39-11-7-4-8-12-39)42-27-21-37(22-28-42)36-19-17-35(18-20-36)34-9-5-3-6-10-34;43-32-27-37(44(33-12-4-1-5-13-33)34-14-6-2-7-15-34)29-38(28-32)45(35-16-8-3-9-17-35)36-23-20-30(21-24-36)31-22-25-40-39-18-10-11-19-41(39)46-42(40)26-31;;;/h1-31H;3-31H,1-2H3;1-29H;3*1H4
InChIKeyVDTYCGVKXLDGHM-UHFFFAOYSA-N
MW2085.16 g/mol
LogP42.67
Rot. Bonds21

About 5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane

5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane (PubChem CID 161270733) has the molecular formula C135H107Br3N6S and a molecular weight of 2085.16 g/mol. Its IUPAC name is 5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane.

Molecular Properties

Compound Name5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane
PubChem CID161270733
Molecular FormulaC135H107Br3N6S
Molecular Weight2085.16 g/mol
Exact Mass2080.58
IUPAC Name5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane
SMILESBrc1cc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)c1.Brc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c1.C.C.C.Cc1ccc(N(c2ccc(C)cc2)c2cc(Br)cc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)cc1
InChIInChI=1S/C46H31BrN2.C44H35BrN2.C42H29BrN2S.3CH4/c47-38-29-41(48(39-25-23-32-11-1-3-15-36(32)27-39)45-21-9-17-34-13-5-7-19-43(34)45)31-42(30-38)49(40-26-24-33-12-2-4-16-37(33)28-40)46-22-10-18-35-14-6-8-20-44(35)46;1-32-13-23-40(24-14-32)47(41-25-15-33(2)16-26-41)44-30-38(45)29-43(31-44)46(39-11-7-4-8-12-39)42-27-21-37(22-28-42)36-19-17-35(18-20-36)34-9-5-3-6-10-34;43-32-27-37(44(33-12-4-1-5-13-33)34-14-6-2-7-15-34)29-38(28-32)45(35-16-8-3-9-17-35)36-23-20-30(21-24-36)31-22-25-40-39-18-10-11-19-41(39)46-42(40)26-31;;;/h1-31H;3-31H,1-2H3;1-29H;3*1H4
InChIKeyVDTYCGVKXLDGHM-UHFFFAOYSA-N
XLogP42.67
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002085.16
LogP ≤ 542.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane with MolForge

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Related Compounds

5-bromo-3-N-dibenzothiophen-3-yl-1-N-naphthalen-2-yl-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine
CID 122634272
5-bromo-3-N-dibenzothiophen-3-yl-1-N-naphthalen-2-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 134471585
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256598
1-N-[4-(4-methylphenyl)phenyl]-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 157265115
N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-methylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 161406652
3-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 168767536
N-(4-dibenzothiophen-3-ylphenyl)-3-(6-naphthalen-2-ylnaphthalen-2-yl)-N-phenylaniline
CID 174257627
5-bromo-1-N,3-N-di(dibenzothiophen-3-yl)-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122551935
1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-dinaphthalen-1-yl-4-N-naphthalen-2-ylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-1-N-naphthalen-1-yl-4-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine;4-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine;1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N,4-N-trinaphthalen-1-ylbenzene-1,4-diamine
CID 158255176
8-bromo-N,N-dinaphthalen-2-yldibenzothiophen-3-amine;8-bromo-N-naphthalen-1-yl-N-phenyldibenzothiophen-3-amine;8-bromo-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine;8-bromo-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 158747098
7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 161361054
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane?
The IUPAC name of 5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane (CID 161270733) is 5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane.
What is the SMILES notation for 5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane?
The canonical SMILES for 5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane is Brc1cc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)c1.Brc1cc(N(c2ccccc2)c2ccccc2)cc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2)c1.C.C.C.Cc1ccc(N(c2ccc(C)cc2)c2cc(Br)cc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c2)cc1.
What is the InChIKey of 5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane?
The InChIKey is VDTYCGVKXLDGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31BrN2.C44H35BrN2.C42H29BrN2S.3CH4/c47-38-29-41(48(39-25-23-32-11-1-3-15-36(32)27-39)45-21-9-17-34-13-5-7-19-43(34)45)31-42(30-38)49(40-26-24-33-12-2-4-16-37(33)28-40)46-22-10-18-35-14-6-8-20-44(35)46;1-32-13-23-40(24-14-32)47(41-25-15-33(2)16-26-41)44-30-38(45)29-43(31-44)46(39-11-7-4-8-12-39)42-27-21-37(22-28-42)36-19-17-35(18-20-36)34-9-5-3-6-10-34;43-32-27-37(44(33-12-4-1-5-13-33)34-14-6-2-7-15-34)29-38(28-32)45(35-16-8-3-9-17-35)36-23-20-30(21-24-36)31-22-25-40-39-18-10-11-19-41(39)46-42(40)26-31;;;/h1-31H;3-31H,1-2H3;1-29H;3*1H4.
What are the key properties of 5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane?
5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane has a molecular weight of 2085.16 g/mol, XLogP of 42.67, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-N,3-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;5-bromo-3-N-(4-dibenzothiophen-3-ylphenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;5-bromo-1-N,3-N-dinaphthalen-1-yl-1-N,3-N-dinaphthalen-2-ylbenzene-1,3-diamine;methane is sourced from PubChem (CID 161270733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).