N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine

C54H34N2O2 — CID 170370037

IUPACN-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2cccc3c2c2c(-c4ccccc4)c4c(cc2n3-c2ccc(N(c3ccccc3)c3ccc5c(c3)oc3ccccc35)cc2)oc2ccccc24)cc1
InChIInChI=1S/C54H34N2O2/c1-4-15-35(16-5-1)41-23-14-24-45-52(41)54-46(34-50-53(44-22-11-13-26-48(44)58-50)51(54)36-17-6-2-7-18-36)56(45)39-29-27-38(28-30-39)55(37-19-8-3-9-20-37)40-31-32-43-42-21-10-12-25-47(42)57-49(43)33-40/h1-34H
InChIKeyGWNYLTKLCKYIOB-UHFFFAOYSA-N
MW742.88 g/mol
LogP15.39
Rot. Bonds6

About N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine

N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine (PubChem CID 170370037) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
PubChem CID170370037
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC NameN-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2cccc3c2c2c(-c4ccccc4)c4c(cc2n3-c2ccc(N(c3ccccc3)c3ccc5c(c3)oc3ccccc35)cc2)oc2ccccc24)cc1
InChIInChI=1S/C54H34N2O2/c1-4-15-35(16-5-1)41-23-14-24-45-52(41)54-46(34-50-53(44-22-11-13-26-48(44)58-50)51(54)36-17-6-2-7-18-36)56(45)39-29-27-38(28-30-39)55(37-19-8-3-9-20-37)40-31-32-43-42-21-10-12-25-47(42)57-49(43)33-40/h1-34H
InChIKeyGWNYLTKLCKYIOB-UHFFFAOYSA-N
XLogP15.39
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine with MolForge

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Related Compounds

N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170369228
N-(4-dibenzofuran-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010360
N-[4-[10-(7,8-dihydronaphthalen-1-yl)-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 170369754
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-phenylaniline
CID 155649256
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(4-phenylphenyl)aniline
CID 155397977
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-3-(2-phenylphenyl)aniline
CID 155398018
N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine
CID 169010221
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-phenylaniline
CID 155398130
N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170376619
4-[4-(8-dibenzofuran-4-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N,N-diphenylaniline
CID 170369758

Frequently Asked Questions

What is the IUPAC name of N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine (CID 170370037) is N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine is c1ccc(-c2cccc3c2c2c(-c4ccccc4)c4c(cc2n3-c2ccc(N(c3ccccc3)c3ccc5c(c3)oc3ccccc35)cc2)oc2ccccc24)cc1.
What is the InChIKey of N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine?
The InChIKey is GWNYLTKLCKYIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-4-15-35(16-5-1)41-23-14-24-45-52(41)54-46(34-50-53(44-22-11-13-26-48(44)58-50)51(54)36-17-6-2-7-18-36)56(45)39-29-27-38(28-30-39)55(37-19-8-3-9-20-37)40-31-32-43-42-21-10-12-25-47(42)57-49(43)33-40/h1-34H.
What are the key properties of N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine?
N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine has a molecular weight of 742.88 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 170370037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).