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

C60H36N2O3 — CID 165374573

IUPAC9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)oc4cccc(-n6c7ccccc7c7ccccc76)c45)cc3)cccc12
InChIInChI=1S/C60H36N2O3/c1-5-20-51-44(12-1)45-13-2-6-21-52(45)62(51)53-22-11-25-56-58(53)50-35-34-41(36-57(50)63-56)61(39-30-26-37(27-31-39)42-16-9-18-48-46-14-3-7-23-54(46)64-59(42)48)40-32-28-38(29-33-40)43-17-10-19-49-47-15-4-8-24-55(47)65-60(43)49/h1-36H
InChIKeyJXQLJNGSFWJZGL-UHFFFAOYSA-N
MW832.96 g/mol
LogP17.29
Rot. Bonds6

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

9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine (PubChem CID 165374573) has the molecular formula C60H36N2O3 and a molecular weight of 832.96 g/mol. Its IUPAC name is 9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine
PubChem CID165374573
Molecular FormulaC60H36N2O3
Molecular Weight832.96 g/mol
Exact Mass832.27
IUPAC Name9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)oc4cccc(-n6c7ccccc7c7ccccc76)c45)cc3)cccc12
InChIInChI=1S/C60H36N2O3/c1-5-20-51-44(12-1)45-13-2-6-21-52(45)62(51)53-22-11-25-56-58(53)50-35-34-41(36-57(50)63-56)61(39-30-26-37(27-31-39)42-16-9-18-48-46-14-3-7-23-54(46)64-59(42)48)40-32-28-38(29-33-40)43-17-10-19-49-47-15-4-8-24-55(47)65-60(43)49/h1-36H
InChIKeyJXQLJNGSFWJZGL-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

9-(7-dibenzofuran-4-yldibenzofuran-1-yl)carbazole
CID 170284005
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 142416213
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-4-yl-N-phenylaniline
CID 139544485
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 139545258
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine
CID 139544867
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-phenylphenyl)-9-[2-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164971651
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 164724975
3-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544982
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139545181
3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544966
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline
CID 139544656

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of 9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine (CID 165374573) is 9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine is c1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)oc4cccc(-n6c7ccccc7c7ccccc76)c45)cc3)cccc12.
What is the InChIKey of 9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine?
The InChIKey is JXQLJNGSFWJZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O3/c1-5-20-51-44(12-1)45-13-2-6-21-52(45)62(51)53-22-11-25-56-58(53)50-35-34-41(36-57(50)63-56)61(39-30-26-37(27-31-39)42-16-9-18-48-46-14-3-7-23-54(46)64-59(42)48)40-32-28-38(29-33-40)43-17-10-19-49-47-15-4-8-24-55(47)65-60(43)49/h1-36H.
What are the key properties of 9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine?
9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-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 9-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 165374573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).