2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

C60H40N2O — CID 166659838

IUPAC2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccc6oc7ccccc7c6c5)c4)cc3)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-3-15-41(16-4-1)42-29-31-43(32-30-42)44-33-35-48(36-34-44)61(47-19-5-2-6-20-47)55-25-10-7-21-50(55)45-17-13-18-46(39-45)51-24-14-27-57-60(51)53-23-8-11-26-56(53)62(57)49-37-38-59-54(40-49)52-22-9-12-28-58(52)63-59/h1-40H
InChIKeyZYBNGOHHPLLCHT-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About 2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline

2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 166659838) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is 2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID166659838
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC Name2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccc6oc7ccccc7c6c5)c4)cc3)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-3-15-41(16-4-1)42-29-31-43(32-30-42)44-33-35-48(36-34-44)61(47-19-5-2-6-20-47)55-25-10-7-21-50(55)45-17-13-18-46(39-45)51-24-14-27-57-60(51)53-23-8-11-26-56(53)62(57)49-37-38-59-54(40-49)52-22-9-12-28-58(52)63-59/h1-40H
InChIKeyZYBNGOHHPLLCHT-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,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline
CID 167196113
N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659568
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153314933
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 155398414
N-dibenzofuran-2-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010488
10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 176795708
N-(3-carbazol-9-ylphenyl)-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 153315196
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 149242744
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153314795
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398519
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 155398660
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-(7-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)aniline
CID 153314848

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline (CID 166659838) is 2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccc6oc7ccccc7c6c5)c4)cc3)cc2)cc1.
What is the InChIKey of 2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is ZYBNGOHHPLLCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-3-15-41(16-4-1)42-29-31-43(32-30-42)44-33-35-48(36-34-44)61(47-19-5-2-6-20-47)55-25-10-7-21-50(55)45-17-13-18-46(39-45)51-24-14-27-57-60(51)53-23-8-11-26-56(53)62(57)49-37-38-59-54(40-49)52-22-9-12-28-58(52)63-59/h1-40H.
What are the key properties of 2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline?
2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline 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 2-[3-(9-dibenzofuran-2-ylcarbazol-4-yl)phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 166659838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).