N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline

C54H36N2O — CID 156521426

IUPACN,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-14-37(15-5-1)39-24-29-43(30-25-39)55(42-18-8-3-9-19-42)44-31-26-40(27-32-44)49-35-45(36-50-48-21-11-13-23-53(48)57-54(49)50)56-51-22-12-10-20-46(51)47-33-28-41(34-52(47)56)38-16-6-2-7-17-38/h1-36H
InChIKeyYHNNMLDBHNOTIN-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.15
Rot. Bonds7

About N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline

N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline (PubChem CID 156521426) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline
PubChem CID156521426
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC NameN,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-14-37(15-5-1)39-24-29-43(30-25-39)55(42-18-8-3-9-19-42)44-31-26-40(27-32-44)49-35-45(36-50-48-21-11-13-23-53(48)57-54(49)50)56-51-22-12-10-20-46(51)47-33-28-41(34-52(47)56)38-16-6-2-7-17-38/h1-36H
InChIKeyYHNNMLDBHNOTIN-UHFFFAOYSA-N
XLogP15.15
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166591712
N-[4-(2-benzo[b]carbazol-5-yldibenzofuran-4-yl)phenyl]-N,4-diphenylaniline
CID 156558653
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 164724975
4-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 161031822
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118640922
N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline
CID 156558918
3-dibenzofuran-4-yl-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 121443723
N,9-diphenyl-N-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]carbazol-2-amine
CID 167402090
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-6-[9-[3-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]naphthalen-1-amine
CID 166881758
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
CID 156521073

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline (CID 156521426) is N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline?
The InChIKey is YHNNMLDBHNOTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-4-14-37(15-5-1)39-24-29-43(30-25-39)55(42-18-8-3-9-19-42)44-31-26-40(27-32-44)49-35-45(36-50-48-21-11-13-23-53(48)57-54(49)50)56-51-22-12-10-20-46(51)47-33-28-41(34-52(47)56)38-16-6-2-7-17-38/h1-36H.
What are the key properties of N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline?
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline has a molecular weight of 728.90 g/mol, XLogP of 15.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline is sourced from PubChem (CID 156521426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).