4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine

C60H36N2O3 — CID 176609625

IUPAC4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3oc3ccccc34)c3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C60H36N2O3/c1-6-24-50-43(16-1)44-17-2-7-25-51(44)62(50)40-15-11-14-38(36-40)42-34-35-52(57-49-20-5-10-29-56(49)65-60(42)57)61(53-26-13-23-48-46-19-4-9-28-55(46)64-59(48)53)39-32-30-37(31-33-39)41-21-12-22-47-45-18-3-8-27-54(45)63-58(41)47/h1-36H
InChIKeyGHEMICQPHIGORQ-UHFFFAOYSA-N
MW832.96 g/mol
LogP17.29
Rot. Bonds6

About 4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine

4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine (PubChem CID 176609625) has the molecular formula C60H36N2O3 and a molecular weight of 832.96 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
PubChem CID176609625
Molecular FormulaC60H36N2O3
Molecular Weight832.96 g/mol
Exact Mass832.27
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3oc3ccccc34)c3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C60H36N2O3/c1-6-24-50-43(16-1)44-17-2-7-25-51(44)62(50)40-15-11-14-38(36-40)42-34-35-52(57-49-20-5-10-29-56(49)65-60(42)57)61(53-26-13-23-48-46-19-4-9-28-55(46)64-59(48)53)39-32-30-37(31-33-39)41-21-12-22-47-45-18-3-8-27-54(45)63-58(41)47/h1-36H
InChIKeyGHEMICQPHIGORQ-UHFFFAOYSA-N
XLogP17.29
TPSA47.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.96
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine
CID 176608293
4-(3-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609990
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine
CID 58510953
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176609708
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 176609302
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577267
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155398630
4-(3-carbazol-9-ylphenyl)-N-(3,4-diphenylphenyl)-N-(2-methylphenyl)dibenzofuran-1-amine
CID 176609757
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172501663
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167086378

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine (CID 176609625) is 4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine is c1cc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3oc3ccccc34)c3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine?
The InChIKey is GHEMICQPHIGORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O3/c1-6-24-50-43(16-1)44-17-2-7-25-51(44)62(50)40-15-11-14-38(36-40)42-34-35-52(57-49-20-5-10-29-56(49)65-60(42)57)61(53-26-13-23-48-46-19-4-9-28-55(46)64-59(48)53)39-32-30-37(31-33-39)41-21-12-22-47-45-18-3-8-27-54(45)63-58(41)47/h1-36H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine?
4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine has a molecular weight of 832.96 g/mol, XLogP of 17.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 176609625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).