N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline

C67H45NO — CID 159899599

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C67H45NO/c1-4-16-46(17-5-1)47-30-32-48(33-31-47)51-18-14-23-57(44-51)68(55-39-34-49(35-40-55)52-38-43-65-61(45-52)59-24-11-13-29-64(59)69-65)56-41-36-50(37-42-56)58-26-15-28-63-66(58)60-25-10-12-27-62(60)67(63,53-19-6-2-7-20-53)54-21-8-3-9-22-54/h1-45H
InChIKeySBFDJYYUQWVEII-UHFFFAOYSA-N
MW880.10 g/mol
LogP18.09
Rot. Bonds9

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline (PubChem CID 159899599) has the molecular formula C67H45NO and a molecular weight of 880.10 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline
PubChem CID159899599
Molecular FormulaC67H45NO
Molecular Weight880.10 g/mol
Exact Mass879.35
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C67H45NO/c1-4-16-46(17-5-1)47-30-32-48(33-31-47)51-18-14-23-57(44-51)68(55-39-34-49(35-40-55)52-38-43-65-61(45-52)59-24-11-13-29-64(59)69-65)56-41-36-50(37-42-56)58-26-15-28-63-66(58)60-25-10-12-27-62(60)67(63,53-19-6-2-7-20-53)54-21-8-3-9-22-54/h1-45H
InChIKeySBFDJYYUQWVEII-UHFFFAOYSA-N
XLogP18.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.10
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 161297383
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-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769
3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381580
3-N-dibenzofuran-2-yl-1-N-(3,4-diphenylphenyl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine;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 162032569
N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 157395507
3-dibenzofuran-4-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline;N-(3-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158258479
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 158324524
N-(4-dibenzofuran-2-ylphenyl)-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675340

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline (CID 159899599) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline?
The InChIKey is SBFDJYYUQWVEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NO/c1-4-16-46(17-5-1)47-30-32-48(33-31-47)51-18-14-23-57(44-51)68(55-39-34-49(35-40-55)52-38-43-65-61(45-52)59-24-11-13-29-64(59)69-65)56-41-36-50(37-42-56)58-26-15-28-63-66(58)60-25-10-12-27-62(60)67(63,53-19-6-2-7-20-53)54-21-8-3-9-22-54/h1-45H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline?
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline has a molecular weight of 880.10 g/mol, XLogP of 18.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline is sourced from PubChem (CID 159899599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).