N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine

C47H30N4O2 — CID 140881767

IUPACN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine
SMILESCn1c2ccccc2c2c(N(c3cccc(-c4cc5c(cn4)oc4ccccc45)c3)c3cccc(-c4cc5c(cn4)oc4ccccc45)c3)cccc21
InChIInChI=1S/C47H30N4O2/c1-50-40-18-5-2-17-35(40)47-41(50)19-10-20-42(47)51(31-13-8-11-29(23-31)38-25-36-33-15-3-6-21-43(33)52-45(36)27-48-38)32-14-9-12-30(24-32)39-26-37-34-16-4-7-22-44(34)53-46(37)28-49-39/h2-28H,1H3
InChIKeyFZPRGURPECCYOP-UHFFFAOYSA-N
MW682.78 g/mol
LogP12.72
Rot. Bonds5

About N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine

N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine (PubChem CID 140881767) has the molecular formula C47H30N4O2 and a molecular weight of 682.78 g/mol. Its IUPAC name is N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine.

Molecular Properties

Compound NameN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine
PubChem CID140881767
Molecular FormulaC47H30N4O2
Molecular Weight682.78 g/mol
Exact Mass682.24
IUPAC NameN,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine
SMILESCn1c2ccccc2c2c(N(c3cccc(-c4cc5c(cn4)oc4ccccc45)c3)c3cccc(-c4cc5c(cn4)oc4ccccc45)c3)cccc21
InChIInChI=1S/C47H30N4O2/c1-50-40-18-5-2-17-35(40)47-41(50)19-10-20-42(47)51(31-13-8-11-29(23-31)38-25-36-33-15-3-6-21-43(33)52-45(36)27-48-38)32-14-9-12-30(24-32)39-26-37-34-16-4-7-22-44(34)53-46(37)28-49-39/h2-28H,1H3
InChIKeyFZPRGURPECCYOP-UHFFFAOYSA-N
XLogP12.72
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.78
LogP ≤ 512.72
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)phenyl]-4-carbazol-9-yl-2,6-dimethylaniline
CID 135178307
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-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
N-[3-[3-(N-dibenzofuran-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086811
N-[4-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-4-amine
CID 168737976
N-[3-[3-[N-dibenzofuran-1-yl-4-(4-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167086573
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
3-(3,5-dimethylphenyl)-[1]benzofuro[2,3-c]pyridine
CID 140577687
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)-5-phenylphenyl]-2,4-dimethylpyridin-3-amine
CID 140881794
N,N-bis(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-amine
CID 171050107
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128284
11-methyl-7-phenyl-[1]benzofuro[3,2-b]carbazole
CID 169027784

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine?
The IUPAC name of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine (CID 140881767) is N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine.
What is the SMILES notation for N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine?
The canonical SMILES for N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine is Cn1c2ccccc2c2c(N(c3cccc(-c4cc5c(cn4)oc4ccccc45)c3)c3cccc(-c4cc5c(cn4)oc4ccccc45)c3)cccc21.
What is the InChIKey of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine?
The InChIKey is FZPRGURPECCYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4O2/c1-50-40-18-5-2-17-35(40)47-41(50)19-10-20-42(47)51(31-13-8-11-29(23-31)38-25-36-33-15-3-6-21-43(33)52-45(36)27-48-38)32-14-9-12-30(24-32)39-26-37-34-16-4-7-22-44(34)53-46(37)28-49-39/h2-28H,1H3.
What are the key properties of N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine?
N,N-bis[3-([1]benzofuro[2,3-c]pyridin-3-yl)phenyl]-9-methylcarbazol-4-amine has a molecular weight of 682.78 g/mol, XLogP of 12.72, 5 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]-9-methylcarbazol-4-amine is sourced from PubChem (CID 140881767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).