N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C54H34N2O2 — CID 118405637

IUPACN-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc4)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H34N2O2/c1-2-11-35(12-3-1)36-21-27-39(28-22-36)55(49-18-10-16-46-43-14-5-8-19-50(43)57-53(46)49)40-29-23-37(24-30-40)38-25-31-41(32-26-38)56-48-17-7-4-13-42(48)45-33-34-47-44-15-6-9-20-51(44)58-54(47)52(45)56/h1-34H
InChIKeyPLUVSQIUDLUSNF-UHFFFAOYSA-N
MW742.88 g/mol
LogP15.39
Rot. Bonds6

About N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 118405637) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID118405637
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC NameN-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc4)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H34N2O2/c1-2-11-35(12-3-1)36-21-27-39(28-22-36)55(49-18-10-16-46-43-14-5-8-19-50(43)57-53(46)49)40-29-23-37(24-30-40)38-25-31-41(32-26-38)56-48-17-7-4-13-42(48)45-33-34-47-44-15-6-9-20-51(44)58-54(47)52(45)56/h1-34H
InChIKeyPLUVSQIUDLUSNF-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

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Related Compounds

N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 118405592
N-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118405605
N-phenyl-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 89492134
N-(4-carbazol-9-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172502401
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172501663
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline
CID 118545715
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164790797
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814340
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 118405520
N-naphthalen-1-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168782154
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788477

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 118405637) is N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc4)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is PLUVSQIUDLUSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-2-11-35(12-3-1)36-21-27-39(28-22-36)55(49-18-10-16-46-43-14-5-8-19-50(43)57-53(46)49)40-29-23-37(24-30-40)38-25-31-41(32-26-38)56-48-17-7-4-13-42(48)45-33-34-47-44-15-6-9-20-51(44)58-54(47)52(45)56/h1-34H.
What are the key properties of N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-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-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 118405637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).