3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline

C60H40N2O — CID 168805388

IUPAC3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C60H40N2O/c1-4-15-41(16-5-1)45-19-12-22-50(39-45)61(48-34-29-42(30-35-48)46-33-38-58-55(40-46)53-26-13-25-52(60(53)63-58)43-17-6-2-7-18-43)49-36-31-44(32-37-49)51-24-14-28-57-59(51)54-23-10-11-27-56(54)62(57)47-20-8-3-9-21-47/h1-40H
InChIKeyVYHUXYWPEOUYHV-UHFFFAOYSA-N
MW804.99 g/mol
LogP16.82
Rot. Bonds8

About 3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline

3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline (PubChem CID 168805388) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is 3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline.

Molecular Properties

Compound Name3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
PubChem CID168805388
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC Name3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C60H40N2O/c1-4-15-41(16-5-1)45-19-12-22-50(39-45)61(48-34-29-42(30-35-48)46-33-38-58-55(40-46)53-26-13-25-52(60(53)63-58)43-17-6-2-7-18-43)49-36-31-44(32-37-49)51-24-14-28-57-59(51)54-23-10-11-27-56(54)62(57)47-20-8-3-9-21-47/h1-40H
InChIKeyVYHUXYWPEOUYHV-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-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804413
N-(4-carbazol-9-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804257
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline
CID 168804463
4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804273
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814780
N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline
CID 118438894
1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 118402476
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 161206452
3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121443658
3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline
CID 162242115
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[3-(6-phenyldibenzofuran-1-yl)phenyl]aniline
CID 155649265

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The IUPAC name of 3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline (CID 168805388) is 3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline.
What is the SMILES notation for 3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The canonical SMILES for 3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline is c1ccc(-c2cccc(N(c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc3)c2)cc1.
What is the InChIKey of 3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The InChIKey is VYHUXYWPEOUYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-4-15-41(16-5-1)45-19-12-22-50(39-45)61(48-34-29-42(30-35-48)46-33-38-58-55(40-46)53-26-13-25-52(60(53)63-58)43-17-6-2-7-18-43)49-36-31-44(32-37-49)51-24-14-28-57-59(51)54-23-10-11-27-56(54)62(57)47-20-8-3-9-21-47/h1-40H.
What are the key properties of 3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)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 3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline is sourced from PubChem (CID 168805388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).