N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline

C60H40N2O — CID 155398509

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c4ccccc4-c4cccc5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-2-15-41(16-3-1)42-31-33-43(34-32-42)45-17-12-19-48(39-45)61(55-26-8-6-23-52(55)53-25-14-30-59-60(53)54-24-7-11-29-58(54)63-59)47-37-35-44(36-38-47)46-18-13-20-49(40-46)62-56-27-9-4-21-50(56)51-22-5-10-28-57(51)62/h1-40H
InChIKeyMMPSGEWNGHFODB-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline

N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline (PubChem CID 155398509) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline
PubChem CID155398509
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c4ccccc4-c4cccc5oc6ccccc6c45)c3)cc2)cc1
InChIInChI=1S/C60H40N2O/c1-2-15-41(16-3-1)42-31-33-43(34-32-42)45-17-12-19-48(39-45)61(55-26-8-6-23-52(55)53-25-14-30-59-60(53)54-24-7-11-29-58(54)63-59)47-37-35-44(36-38-47)46-18-13-20-49(40-46)62-56-27-9-4-21-50(56)51-22-5-10-28-57(51)62/h1-40H
InChIKeyMMPSGEWNGHFODB-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-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 155398540
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 162216331
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-dibenzofuran-1-yl-N-[2-(2-phenylphenyl)phenyl]aniline
CID 155398441
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 155398161
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)naphthalen-2-amine
CID 146719839
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 155398414
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 155398231
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline
CID 155398563
N-(3-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325919
4-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-phenylaniline
CID 155398448
N-(4-carbazol-9-ylphenyl)-2-dibenzofuran-1-yl-N-[3-(2-phenylphenyl)phenyl]aniline
CID 155398745

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline (CID 155398509) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c4ccccc4-c4cccc5oc6ccccc6c45)c3)cc2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline?
The InChIKey is MMPSGEWNGHFODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-2-15-41(16-3-1)42-31-33-43(34-32-42)45-17-12-19-48(39-45)61(55-26-8-6-23-52(55)53-25-14-30-59-60(53)54-24-7-11-29-58(54)63-59)47-37-35-44(36-38-47)46-18-13-20-49(40-46)62-56-27-9-4-21-50(56)51-22-5-10-28-57(51)62/h1-40H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(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 N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-dibenzofuran-1-yl-N-[3-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 155398509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).