1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine

C60H39N3O2 — CID 131997540

IUPAC1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
SMILESc1ccc(N(c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C60H39N3O2/c1-4-18-42(19-5-1)61(55-30-16-27-50-48-25-11-14-32-57(48)64-59(50)55)45-36-41(40-34-35-54-52(38-40)47-24-10-13-29-53(47)63(54)44-22-8-3-9-23-44)37-46(39-45)62(43-20-6-2-7-21-43)56-31-17-28-51-49-26-12-15-33-58(49)65-60(51)56/h1-39H
InChIKeySACYGDCLGPQGFV-UHFFFAOYSA-N
MW833.99 g/mol
LogP17.19
Rot. Bonds8

About 1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine

1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine (PubChem CID 131997540) has the molecular formula C60H39N3O2 and a molecular weight of 833.99 g/mol. Its IUPAC name is 1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
PubChem CID131997540
Molecular FormulaC60H39N3O2
Molecular Weight833.99 g/mol
Exact Mass833.30
IUPAC Name1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
SMILESc1ccc(N(c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C60H39N3O2/c1-4-18-42(19-5-1)61(55-30-16-27-50-48-25-11-14-32-57(48)64-59(50)55)45-36-41(40-34-35-54-52(38-40)47-24-10-13-29-53(47)63(54)44-22-8-3-9-23-44)37-46(39-45)62(43-20-6-2-7-21-43)56-31-17-28-51-49-26-12-15-33-58(49)65-60(51)56/h1-39H
InChIKeySACYGDCLGPQGFV-UHFFFAOYSA-N
XLogP17.19
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.99
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 89492134
N-[4-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170243694
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-yl-5-phenylphenyl)dibenzofuran-4-amine
CID 121329721
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167278242
N-phenyl-N-[4-[4-[2-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 164724953
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814340
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577267
N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738551
3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121443658
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 58510678
N-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737323
4-N-dibenzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)cyclohexa-1,3-diene-1,4-diamine
CID 90207080

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine (CID 131997540) is 1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine is c1ccc(N(c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)c2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The InChIKey is SACYGDCLGPQGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3O2/c1-4-18-42(19-5-1)61(55-30-16-27-50-48-25-11-14-32-57(48)64-59(50)55)45-36-41(40-34-35-54-52(38-40)47-24-10-13-29-53(47)63(54)44-22-8-3-9-23-44)37-46(39-45)62(43-20-6-2-7-21-43)56-31-17-28-51-49-26-12-15-33-58(49)65-60(51)56/h1-39H.
What are the key properties of 1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine has a molecular weight of 833.99 g/mol, XLogP of 17.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 131997540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).