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

C66H44N2O — CID 168804273

IUPAC4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-3-15-47(16-4-1)56-21-7-8-22-57(56)49-33-40-54(41-34-49)67(52-36-29-45(30-37-52)50-19-13-20-55(43-50)68-63-27-11-9-23-59(63)60-24-10-12-28-64(60)68)53-38-31-46(32-39-53)51-35-42-65-62(44-51)61-26-14-25-58(66(61)69-65)48-17-5-2-6-18-48/h1-44H
InChIKeyBPVJANZJQRQQKJ-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

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

4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline (PubChem CID 168804273) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
PubChem CID168804273
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C66H44N2O/c1-3-15-47(16-4-1)56-21-7-8-22-57(56)49-33-40-54(41-34-49)67(52-36-29-45(30-37-52)50-19-13-20-55(43-50)68-63-27-11-9-23-59(63)60-24-10-12-28-64(60)68)53-38-31-46(32-39-53)51-35-42-65-62(44-51)61-26-14-25-58(66(61)69-65)48-17-5-2-6-18-48/h1-44H
InChIKeyBPVJANZJQRQQKJ-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-carbazol-9-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804257
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-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline
CID 118901537
N-[4-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160835458
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-2-amine
CID 168805014
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]aniline
CID 153315205
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline
CID 118438894
N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804413
9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864
N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90125897
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168805131

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline (CID 168804273) is 4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)cccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?
The InChIKey is BPVJANZJQRQQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-3-15-47(16-4-1)56-21-7-8-22-57(56)49-33-40-54(41-34-49)67(52-36-29-45(30-37-52)50-19-13-20-55(43-50)68-63-27-11-9-23-59(63)60-24-10-12-28-64(60)68)53-38-31-46(32-39-53)51-35-42-65-62(44-51)61-26-14-25-58(66(61)69-65)48-17-5-2-6-18-48/h1-44H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?
4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-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 4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 168804273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).