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

C55H37NO — CID 163630205

IUPACN-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)oc4cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c45)c3)cc2)cc1
InChIInChI=1S/C55H37NO/c1-4-16-38(17-5-1)39-30-33-44(34-31-39)56(43-21-8-3-9-22-43)45-23-14-18-40(36-45)41-32-35-48-53(37-41)57-52-29-15-28-51(54(48)52)55(42-19-6-2-7-20-42)49-26-12-10-24-46(49)47-25-11-13-27-50(47)55/h1-37H
InChIKeyOCXDOVUXAIPRKJ-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.75
Rot. Bonds7

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

N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline (PubChem CID 163630205) has the molecular formula C55H37NO and a molecular weight of 727.91 g/mol. Its IUPAC name is N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline
PubChem CID163630205
Molecular FormulaC55H37NO
Molecular Weight727.91 g/mol
Exact Mass727.29
IUPAC NameN-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)oc4cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c45)c3)cc2)cc1
InChIInChI=1S/C55H37NO/c1-4-16-38(17-5-1)39-30-33-44(34-31-39)56(43-21-8-3-9-22-43)45-23-14-18-40(36-45)41-32-35-48-53(37-41)57-52-29-15-28-51(54(48)52)55(42-19-6-2-7-20-42)49-26-12-10-24-46(49)47-25-11-13-27-50(47)55/h1-37H
InChIKeyOCXDOVUXAIPRKJ-UHFFFAOYSA-N
XLogP14.75
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163432313
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
N,7-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 163960848
N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-[9-(3-phenylphenyl)fluoren-9-yl]dibenzofuran-3-amine
CID 163514817
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176808325
N-phenyl-7-[9-(3-phenylphenyl)fluoren-9-yl]-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 163646447
3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096723
N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]aniline;N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 163508412
9,9-diphenyl-N-(4-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)fluoren-2-amine
CID 171451773

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline (CID 163630205) is N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)oc4cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c45)c3)cc2)cc1.
What is the InChIKey of N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline?
The InChIKey is OCXDOVUXAIPRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO/c1-4-16-38(17-5-1)39-30-33-44(34-31-39)56(43-21-8-3-9-22-43)45-23-14-18-40(36-45)41-32-35-48-53(37-41)57-52-29-15-28-51(54(48)52)55(42-19-6-2-7-20-42)49-26-12-10-24-46(49)47-25-11-13-27-50(47)55/h1-37H.
What are the key properties of N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline?
N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline has a molecular weight of 727.91 g/mol, XLogP of 14.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 163630205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).