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

C66H44N2O — CID 168804413

IUPACN-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)cc4)c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)cc3)c2)cc1
InChIInChI=1S/C66H44N2O/c1-4-15-45(16-5-1)50-19-12-20-51(43-50)46-29-36-54(37-30-46)67(55-38-31-47(32-39-55)52-35-42-64-61(44-52)59-26-13-25-58(66(59)69-64)48-17-6-2-7-18-48)56-40-33-49(34-41-56)57-24-14-28-63-65(57)60-23-10-11-27-62(60)68(63)53-21-8-3-9-22-53/h1-44H
InChIKeyZZUVROFZKAIGBJ-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

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

N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 168804413) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID168804413
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC NameN-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)cc4)c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)cc3)c2)cc1
InChIInChI=1S/C66H44N2O/c1-4-15-45(16-5-1)50-19-12-20-51(43-50)46-29-36-54(37-30-46)67(55-38-31-47(32-39-55)52-35-42-64-61(44-52)59-26-13-25-58(66(59)69-64)48-17-6-2-7-18-48)56-40-33-49(34-41-56)57-24-14-28-63-65(57)60-23-10-11-27-62(60)68(63)53-21-8-3-9-22-53/h1-44H
InChIKeyZZUVROFZKAIGBJ-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

3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805388
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-(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
N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804997
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804792
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814780
N-(4-dibenzothiophen-1-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805112
N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]carbazol-4-amine
CID 168805442
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline
CID 118901537
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline (CID 168804413) is N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc6oc7c(-c8ccccc8)cccc7c6c5)cc4)c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)cc3)c2)cc1.
What is the InChIKey of N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is ZZUVROFZKAIGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-4-15-45(16-5-1)50-19-12-20-51(43-50)46-29-36-54(37-30-46)67(55-38-31-47(32-39-55)52-35-42-64-61(44-52)59-26-13-25-58(66(59)69-64)48-17-6-2-7-18-48)56-40-33-49(34-41-56)57-24-14-28-63-65(57)60-23-10-11-27-62(60)68(63)53-21-8-3-9-22-53/h1-44H.
What are the key properties of N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]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 N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 168804413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).