N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline

C60H40N2O — CID 153314795

IUPACN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C60H40N2O/c1-2-14-43(15-3-1)51-20-4-8-24-56(51)61(50-19-13-18-46(39-50)47-32-37-55-54-23-7-11-27-59(54)63-60(55)40-47)48-33-28-41(29-34-48)44-16-12-17-45(38-44)42-30-35-49(36-31-42)62-57-25-9-5-21-52(57)53-22-6-10-26-58(53)62/h1-40H
InChIKeyVBGHLWVPTHRNMC-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline (PubChem CID 153314795) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
PubChem CID153314795
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C60H40N2O/c1-2-14-43(15-3-1)51-20-4-8-24-56(51)61(50-19-13-18-46(39-50)47-32-37-55-54-23-7-11-27-59(54)63-60(55)40-47)48-33-28-41(29-34-48)44-16-12-17-45(38-44)42-30-35-49(36-31-42)62-57-25-9-5-21-52(57)53-22-6-10-26-58(53)62/h1-40H
InChIKeyVBGHLWVPTHRNMC-UHFFFAOYSA-N
XLogP16.82
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153314933
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[2-(2-phenylphenyl)phenyl]aniline
CID 153314987
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503050
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 155398660
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenanthren-2-ylaniline
CID 147662052
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 149242744
N-(3-carbazol-9-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 153315196
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398519
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-phenyl-N-[4-(7-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315203
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)phenanthren-3-amine
CID 153314948
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153315084
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-2-(4-phenylphenyl)aniline
CID 153314946

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline?
The IUPAC name of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline (CID 153314795) is N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline is c1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)cc2)c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline?
The InChIKey is VBGHLWVPTHRNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-2-14-43(15-3-1)51-20-4-8-24-56(51)61(50-19-13-18-46(39-50)47-32-37-55-54-23-7-11-27-59(54)63-60(55)40-47)48-33-28-41(29-34-48)44-16-12-17-45(38-44)42-30-35-49(36-31-42)62-57-25-9-5-21-52(57)53-22-6-10-26-58(53)62/h1-40H.
What are the key properties of N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline?
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline has a molecular weight of 804.99 g/mol, XLogP of 16.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 153314795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).