4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine

C64H40N2O2 — CID 176608527

IUPAC4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(oc4ccccc43)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C64H40N2O2/c1-2-17-46-41(15-1)16-13-23-47(46)42-31-35-45(36-32-42)66(58-28-10-5-20-50(58)53-24-14-25-54-51-21-6-11-29-60(51)67-63(53)54)59-40-39-55-52-22-7-12-30-61(52)68-64(55)62(59)43-33-37-44(38-34-43)65-56-26-8-3-18-48(56)49-19-4-9-27-57(49)65/h1-40H
InChIKeyOBMVPUVBRLWWQR-UHFFFAOYSA-N
MW869.04 g/mol
LogP18.21
Rot. Bonds7

About 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine

4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine (PubChem CID 176608527) has the molecular formula C64H40N2O2 and a molecular weight of 869.04 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
PubChem CID176608527
Molecular FormulaC64H40N2O2
Molecular Weight869.04 g/mol
Exact Mass868.31
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(oc4ccccc43)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C64H40N2O2/c1-2-17-46-41(15-1)16-13-23-47(46)42-31-35-45(36-32-42)66(58-28-10-5-20-50(58)53-24-14-25-54-51-21-6-11-29-60(51)67-63(53)54)59-40-39-55-52-22-7-12-30-61(52)68-64(55)62(59)43-33-37-44(38-34-43)65-56-26-8-3-18-48(56)49-19-4-9-27-57(49)65/h1-40H
InChIKeyOBMVPUVBRLWWQR-UHFFFAOYSA-N
XLogP18.21
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.04
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608424
4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176608752
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608726
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 164822828
4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 176608690
N-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739377
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-4-ylphenyl)dibenzofuran-1-amine
CID 164822786
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167329361
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
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-3-amine
CID 176609874
N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186869

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine (CID 176608527) is 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(oc4ccccc43)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
The InChIKey is OBMVPUVBRLWWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O2/c1-2-17-46-41(15-1)16-13-23-47(46)42-31-35-45(36-32-42)66(58-28-10-5-20-50(58)53-24-14-25-54-51-21-6-11-29-60(51)67-63(53)54)59-40-39-55-52-22-7-12-30-61(52)68-64(55)62(59)43-33-37-44(38-34-43)65-56-26-8-3-18-48(56)49-19-4-9-27-57(49)65/h1-40H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine?
4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine has a molecular weight of 869.04 g/mol, XLogP of 18.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-(2-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 176608527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).