N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline

C54H38N2O — CID 156558918

IUPACN-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline
SMILESC1=CC(c2cccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4oc4ccccc45)cc3)c3cccc(-c4ccccc4)c3)c2)=CCC1
InChIInChI=1S/C54H38N2O/c1-3-15-37(16-4-1)40-19-13-21-43(33-40)55(44-22-14-20-41(34-44)38-17-5-2-6-18-38)42-31-29-39(30-32-42)49-35-45(36-50-48-25-9-12-28-53(48)57-54(49)50)56-51-26-10-7-23-46(51)47-24-8-11-27-52(47)56/h1,3-5,7-36H,2,6H2
InChIKeyDYSXBXVDAJDXMZ-UHFFFAOYSA-N
MW730.91 g/mol
LogP15.22
Rot. Bonds7

About N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline

N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline (PubChem CID 156558918) has the molecular formula C54H38N2O and a molecular weight of 730.91 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline
PubChem CID156558918
Molecular FormulaC54H38N2O
Molecular Weight730.91 g/mol
Exact Mass730.30
IUPAC NameN-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline
SMILESC1=CC(c2cccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4oc4ccccc45)cc3)c3cccc(-c4ccccc4)c3)c2)=CCC1
InChIInChI=1S/C54H38N2O/c1-3-15-37(16-4-1)40-19-13-21-43(33-40)55(44-22-14-20-41(34-44)38-17-5-2-6-18-38)42-31-29-39(30-32-42)49-35-45(36-50-48-25-9-12-28-53(48)57-54(49)50)56-51-26-10-7-23-46(51)47-24-8-11-27-52(47)56/h1,3-5,7-36H,2,6H2
InChIKeyDYSXBXVDAJDXMZ-UHFFFAOYSA-N
XLogP15.22
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.91
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]aniline
CID 156521426
N-[4-(2-benzo[b]carbazol-5-yldibenzofuran-4-yl)phenyl]-N,4-diphenylaniline
CID 156558653
N-[4-[2-(2-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166591712
2-carbazol-9-yl-N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 156521402
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
3-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544982
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
CID 156521073
N-[3-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline
CID 139544656
3-(2-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 139544966
3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-phenyl-5-(12-phenyl-[1]benzofuro[2,3-a]carbazol-6-yl)-3-N-(4-phenylphenyl)-1-N-pyridin-4-ylbenzene-1,3-diamine
CID 134275324
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(6-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155649265
N-[4-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-3-[2-[4-[4-[4-[4-(2-carbazol-9-yl-4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]dibenzofuran-2-yl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 139544815

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline?
The IUPAC name of N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline (CID 156558918) is N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline is C1=CC(c2cccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4oc4ccccc45)cc3)c3cccc(-c4ccccc4)c3)c2)=CCC1.
What is the InChIKey of N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline?
The InChIKey is DYSXBXVDAJDXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2O/c1-3-15-37(16-4-1)40-19-13-21-43(33-40)55(44-22-14-20-41(34-44)38-17-5-2-6-18-38)42-31-29-39(30-32-42)49-35-45(36-50-48-25-9-12-28-53(48)57-54(49)50)56-51-26-10-7-23-46(51)47-24-8-11-27-52(47)56/h1,3-5,7-36H,2,6H2.
What are the key properties of N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline?
N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline has a molecular weight of 730.91 g/mol, XLogP of 15.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 156558918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).