N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline

C54H36N4O2 — CID 135178307

IUPACN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline
SMILESCc1cc(-n2c3ccccc3c3ccccc32)cc(C)c1N(c1cccc(-c2cc3c(cn2)oc2ccccc23)c1)c1cccc(-c2cc3c(cn2)oc2ccccc23)c1
InChIInChI=1S/C54H36N4O2/c1-33-25-39(58-48-21-7-3-17-40(48)41-18-4-8-22-49(41)58)26-34(2)54(33)57(37-15-11-13-35(27-37)46-29-44-42-19-5-9-23-50(42)59-52(44)31-55-46)38-16-12-14-36(28-38)47-30-45-43-20-6-10-24-51(43)60-53(45)32-56-47/h3-32H,1-2H3
InChIKeyIFUDRDZDCJBMQL-UHFFFAOYSA-N
MW772.91 g/mol
LogP14.79
Rot. Bonds6

About N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline

N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline (PubChem CID 135178307) has the molecular formula C54H36N4O2 and a molecular weight of 772.91 g/mol. Its IUPAC name is N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline.

Molecular Properties

Compound NameN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline
PubChem CID135178307
Molecular FormulaC54H36N4O2
Molecular Weight772.91 g/mol
Exact Mass772.28
IUPAC NameN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline
SMILESCc1cc(-n2c3ccccc3c3ccccc32)cc(C)c1N(c1cccc(-c2cc3c(cn2)oc2ccccc23)c1)c1cccc(-c2cc3c(cn2)oc2ccccc23)c1
InChIInChI=1S/C54H36N4O2/c1-33-25-39(58-48-21-7-3-17-40(48)41-18-4-8-22-49(41)58)26-34(2)54(33)57(37-15-11-13-35(27-37)46-29-44-42-19-5-9-23-50(42)59-52(44)31-55-46)38-16-12-14-36(28-38)47-30-45-43-20-6-10-24-51(43)60-53(45)32-56-47/h3-32H,1-2H3
InChIKeyIFUDRDZDCJBMQL-UHFFFAOYSA-N
XLogP14.79
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.91
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)benzene-2-id-1-yl]-4-carbazol-9-yl-2,6-dimethylaniline;platinum(2+)
CID 140881771
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine
CID 140881767
4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methylfuran-2-yl)-5-(5-methyl-4-phenyl-2-pyridinyl)phenyl]aniline
CID 140908638
3-([1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-(2-methylpropyl)aniline
CID 140881709
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine
CID 140881794
N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline
CID 140881800
4-carbazol-9-yl-2,6-dimethyl-N,N-bis[3-(5-methyl-4-phenyl-2-pyridinyl)-5-(2-methylpropyl)phenyl]aniline
CID 140908719
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyl-[1]benzofuro[2,3-b]pyridin-3-amine
CID 170177327
3-(3,5-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 140577687
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline?
The IUPAC name of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline (CID 135178307) is N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline.
What is the SMILES notation for N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline?
The canonical SMILES for N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline is Cc1cc(-n2c3ccccc3c3ccccc32)cc(C)c1N(c1cccc(-c2cc3c(cn2)oc2ccccc23)c1)c1cccc(-c2cc3c(cn2)oc2ccccc23)c1.
What is the InChIKey of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline?
The InChIKey is IFUDRDZDCJBMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O2/c1-33-25-39(58-48-21-7-3-17-40(48)41-18-4-8-22-49(41)58)26-34(2)54(33)57(37-15-11-13-35(27-37)46-29-44-42-19-5-9-23-50(42)59-52(44)31-55-46)38-16-12-14-36(28-38)47-30-45-43-20-6-10-24-51(43)60-53(45)32-56-47/h3-32H,1-2H3.
What are the key properties of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline?
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline has a molecular weight of 772.91 g/mol, XLogP of 14.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline is sourced from PubChem (CID 135178307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).