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

C64H40N2O2 — CID 176608956

IUPAC4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(oc4ccccc43)c2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C64H40N2O2/c1-2-15-43-38-44(31-30-41(43)14-1)42-32-34-47(35-33-42)65(48-18-11-16-45(39-48)50-24-13-25-55-53-22-5-9-28-60(53)67-63(50)55)59-37-36-56-54-23-6-10-29-61(54)68-64(56)62(59)46-17-12-19-49(40-46)66-57-26-7-3-20-51(57)52-21-4-8-27-58(52)66/h1-40H
InChIKeyDVDBMAIQRHJPFI-UHFFFAOYSA-N
MW869.04 g/mol
LogP18.21
Rot. Bonds7

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

4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine (PubChem CID 176608956) has the molecular formula C64H40N2O2 and a molecular weight of 869.04 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
PubChem CID176608956
Molecular FormulaC64H40N2O2
Molecular Weight869.04 g/mol
Exact Mass868.31
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(oc4ccccc43)c2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C64H40N2O2/c1-2-15-43-38-44(31-30-41(43)14-1)42-32-34-47(35-33-42)65(48-18-11-16-45(39-48)50-24-13-25-55-53-22-5-9-28-60(53)67-63(50)55)59-37-36-56-54-23-6-10-29-61(54)68-64(56)62(59)46-17-12-19-49(40-46)66-57-26-7-3-20-51(57)52-21-4-8-27-58(52)66/h1-40H
InChIKeyDVDBMAIQRHJPFI-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-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176607817
4-(3-carbazol-9-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609043
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-phenanthren-9-yldibenzofuran-3-amine
CID 176610078
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 158717061
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 176609302
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159453315
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 176609179
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-1-ylaniline
CID 146578264
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline;3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158979073
4-(3-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 176609319
N,N-bis(3-carbazol-9-ylphenyl)-1-naphthalen-1-ylnaphthalen-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)-1-naphthalen-1-ylnaphthalen-2-amine;N-dibenzofuran-4-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine;1-naphthalen-1-yl-N,N-bis[3-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 165065640
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine (CID 176608956) is 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine is c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3c(oc4ccccc43)c2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
The InChIKey is DVDBMAIQRHJPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O2/c1-2-15-43-38-44(31-30-41(43)14-1)42-32-34-47(35-33-42)65(48-18-11-16-45(39-48)50-24-13-25-55-53-22-5-9-28-60(53)67-63(50)55)59-37-36-56-54-23-6-10-29-61(54)68-64(56)62(59)46-17-12-19-49(40-46)66-57-26-7-3-20-51(57)52-21-4-8-27-58(52)66/h1-40H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine?
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-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-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 176608956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).