N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline

C66H44N2O — CID 118438894

IUPACN,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3cccc4c3oc3ccc(-c5cccc(-c6cccc(-c7cccc(N(c8ccccc8)c8ccccc8)c7)c6)c5)cc34)c2)cc1
InChIInChI=1S/C66H44N2O/c1-4-17-45(18-5-1)51-35-37-64-61(43-51)59-31-10-11-34-63(59)68(64)57-30-15-24-53(42-57)58-32-16-33-60-62-44-52(36-38-65(62)69-66(58)60)49-22-13-20-47(40-49)46-19-12-21-48(39-46)50-23-14-29-56(41-50)67(54-25-6-2-7-26-54)55-27-8-3-9-28-55/h1-44H
InChIKeyGZFSQRWYQIAUMU-UHFFFAOYSA-N
MW881.09 g/mol
LogP18.49
Rot. Bonds9

About N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline

N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline (PubChem CID 118438894) has the molecular formula C66H44N2O and a molecular weight of 881.09 g/mol. Its IUPAC name is N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline
PubChem CID118438894
Molecular FormulaC66H44N2O
Molecular Weight881.09 g/mol
Exact Mass880.35
IUPAC NameN,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3cccc4c3oc3ccc(-c5cccc(-c6cccc(-c7cccc(N(c8ccccc8)c8ccccc8)c7)c6)c5)cc34)c2)cc1
InChIInChI=1S/C66H44N2O/c1-4-17-45(18-5-1)51-35-37-64-61(43-51)59-31-10-11-34-63(59)68(64)57-30-15-24-53(42-57)58-32-16-33-60-62-44-52(36-38-65(62)69-66(58)60)49-22-13-20-47(40-49)46-19-12-21-48(39-46)50-23-14-29-56(41-50)67(54-25-6-2-7-26-54)55-27-8-3-9-28-55/h1-44H
InChIKeyGZFSQRWYQIAUMU-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-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-4-(3-dibenzofuran-4-ylphenyl)aniline
CID 118901537
4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804273
9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864
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
3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121443658
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-[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
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
3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805388
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-(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
9-phenyl-3-[3-(6-phenyldibenzofuran-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492344

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline (CID 118438894) is N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3cccc4c3oc3ccc(-c5cccc(-c6cccc(-c7cccc(N(c8ccccc8)c8ccccc8)c7)c6)c5)cc34)c2)cc1.
What is the InChIKey of N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline?
The InChIKey is GZFSQRWYQIAUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O/c1-4-17-45(18-5-1)51-35-37-64-61(43-51)59-31-10-11-34-63(59)68(64)57-30-15-24-53(42-57)58-32-16-33-60-62-44-52(36-38-65(62)69-66(58)60)49-22-13-20-47(40-49)46-19-12-21-48(39-46)50-23-14-29-56(41-50)67(54-25-6-2-7-26-54)55-27-8-3-9-28-55/h1-44H.
What are the key properties of N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline?
N,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]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,N-diphenyl-3-[3-[3-[6-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]phenyl]phenyl]aniline is sourced from PubChem (CID 118438894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).