3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine

C58H42BrN3O2 — CID 176815127

IUPAC3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine
SMILESCC(C)(C)c1cc(N(c2cccc(Br)c2)c2cccc3oc4ccccc4c23)cc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C58H42BrN3O2/c1-58(2,3)37-32-42(60(39-17-12-16-38(59)34-39)50-26-14-30-54-56(50)46-22-6-10-28-52(46)63-54)36-43(33-37)61(51-27-15-31-55-57(51)47-23-7-11-29-53(47)64-55)40-18-13-19-41(35-40)62-48-24-8-4-20-44(48)45-21-5-9-25-49(45)62/h4-36H,1-3H3
InChIKeyRXHQUJSQNYACIK-UHFFFAOYSA-N
MW892.90 g/mol
LogP17.58
Rot. Bonds7

About 3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine

3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine (PubChem CID 176815127) has the molecular formula C58H42BrN3O2 and a molecular weight of 892.90 g/mol. Its IUPAC name is 3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine
PubChem CID176815127
Molecular FormulaC58H42BrN3O2
Molecular Weight892.90 g/mol
Exact Mass891.25
IUPAC Name3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine
SMILESCC(C)(C)c1cc(N(c2cccc(Br)c2)c2cccc3oc4ccccc4c23)cc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C58H42BrN3O2/c1-58(2,3)37-32-42(60(39-17-12-16-38(59)34-39)50-26-14-30-54-56(50)46-22-6-10-28-52(46)63-54)36-43(33-37)61(51-27-15-31-55-57(51)47-23-7-11-29-53(47)64-55)40-18-13-19-41(35-40)62-48-24-8-4-20-44(48)45-21-5-9-25-49(45)62/h4-36H,1-3H3
InChIKeyRXHQUJSQNYACIK-UHFFFAOYSA-N
XLogP17.58
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.90
LogP ≤ 517.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine with MolForge

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Related Compounds

N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 164822795
N-dibenzofuran-1-yl-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 138717110
2-N,4-N-di(dibenzofuran-1-yl)-2-N,4-N,9-triphenylcarbazole-2,4-diamine
CID 139496690
N-(3-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 169283939
N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)naphthalen-1-amine
CID 155398283
N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine
CID 171399275
8-N,22-N-bis(3-carbazol-9-ylphenyl)-8-N,22-N-di(dibenzofuran-3-yl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 164999307
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-(4-methylphenyl)carbazol-3-amine
CID 138717147
5-tert-butyl-3-N-[3-(N-(3-chlorodibenzofuran-1-yl)anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 164760005
7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 156529786
N-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-tert-butyl-N-(4-tert-butylphenyl)-1-benzothiophen-3-amine
CID 177279179

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine (CID 176815127) is 3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine is CC(C)(C)c1cc(N(c2cccc(Br)c2)c2cccc3oc4ccccc4c23)cc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of 3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine?
The InChIKey is RXHQUJSQNYACIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42BrN3O2/c1-58(2,3)37-32-42(60(39-17-12-16-38(59)34-39)50-26-14-30-54-56(50)46-22-6-10-28-52(46)63-54)36-43(33-37)61(51-27-15-31-55-57(51)47-23-7-11-29-53(47)64-55)40-18-13-19-41(35-40)62-48-24-8-4-20-44(48)45-21-5-9-25-49(45)62/h4-36H,1-3H3.
What are the key properties of 3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine?
3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine has a molecular weight of 892.90 g/mol, XLogP of 17.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-bromophenyl)-5-tert-butyl-1-N-(3-carbazol-9-ylphenyl)-1-N,3-N-di(dibenzofuran-1-yl)benzene-1,3-diamine is sourced from PubChem (CID 176815127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).