3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline

C66H44N2O — CID 121443658

IUPAC3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(-c6cccc7c6oc6ccccc67)c5)c4)c3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-4-17-45(18-5-1)46-33-36-56(37-34-46)67(54-22-6-2-7-23-54)57-26-15-21-49(43-57)47-19-14-20-48(39-47)51-40-52(42-53(41-51)58-29-16-30-61-60-28-11-13-32-65(60)69-66(58)61)50-35-38-64-62(44-50)59-27-10-12-31-63(59)68(64)55-24-8-3-9-25-55/h1-44H
InChIKeyMQFJBRVZYJPEKK-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

About 3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline

3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 121443658) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is 3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID121443658
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC Name3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(-c6cccc7c6oc6ccccc67)c5)c4)c3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-4-17-45(18-5-1)46-33-36-56(37-34-46)67(54-22-6-2-7-23-54)57-26-15-21-49(43-57)47-19-14-20-48(39-47)51-40-52(42-53(41-51)58-29-16-30-61-60-28-11-13-32-65(60)69-66(58)61)50-35-38-64-62(44-50)59-27-10-12-31-63(59)68(64)55-24-8-3-9-25-55/h1-44H
InChIKeyMQFJBRVZYJPEKK-UHFFFAOYSA-N
XLogP18.49
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.09
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443631
N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443649
3-dibenzofuran-4-yl-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 121443723
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
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-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
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-[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
5-[2,3-bis(6,9-diphenylcarbazol-3-yl)phenyl]-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;5-[2,3-bis(9-phenylcarbazol-3-yl)phenyl]-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;3-[3-[9-(4-dibenzofuran-4-ylphenyl)-6-phenylcarbazol-3-yl]-2-phenylphenyl]-N,N-bis(4-phenylphenyl)aniline
CID 158694692
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118640922
N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline
CID 118438894

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline (CID 121443658) is 3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(-c6cccc7c6oc6ccccc67)c5)c4)c3)cc2)cc1.
What is the InChIKey of 3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is MQFJBRVZYJPEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-4-17-45(18-5-1)46-33-36-56(37-34-46)67(54-22-6-2-7-23-54)57-26-15-21-49(43-57)47-19-14-20-48(39-47)51-40-52(42-53(41-51)58-29-16-30-61-60-28-11-13-32-65(60)69-66(58)61)50-35-38-64-62(44-50)59-27-10-12-31-63(59)68(64)55-24-8-3-9-25-55/h1-44H.
What are the key properties of 3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline?
3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 881.09 g/mol, XLogP of 18.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121443658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).