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

C67H45NO — CID 160917720

IUPACN-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C67H45NO/c1-4-20-46(21-5-1)47-38-40-48(41-39-47)54-28-11-15-35-62(54)68(63-36-16-12-29-55(63)50-42-43-58-57-30-13-17-37-64(57)69-65(58)45-50)53-27-18-22-49(44-53)56-32-19-34-61-66(56)59-31-10-14-33-60(59)67(61,51-23-6-2-7-24-51)52-25-8-3-9-26-52/h1-45H
InChIKeyJHNNSSKCFUGFGB-UHFFFAOYSA-N
MW880.10 g/mol
LogP18.09
Rot. Bonds9

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

N-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline (PubChem CID 160917720) has the molecular formula C67H45NO and a molecular weight of 880.10 g/mol. Its IUPAC name is N-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
PubChem CID160917720
Molecular FormulaC67H45NO
Molecular Weight880.10 g/mol
Exact Mass879.35
IUPAC NameN-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C67H45NO/c1-4-20-46(21-5-1)47-38-40-48(41-39-47)54-28-11-15-35-62(54)68(63-36-16-12-29-55(63)50-42-43-58-57-30-13-17-37-64(57)69-65(58)45-50)53-27-18-22-49(44-53)56-32-19-34-61-66(56)59-31-10-14-33-60(59)67(61,51-23-6-2-7-24-51)52-25-8-3-9-26-52/h1-45H
InChIKeyJHNNSSKCFUGFGB-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-(2-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 161457556
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 158324524
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 161297383
3-dibenzofuran-1-yl-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(3-dibenzofuran-1-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 159108609
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 159899599
3-N-dibenzofuran-3-yl-1-N-(9,9-diphenylfluoren-4-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 155096767
N,N-bis[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylaniline
CID 162510727
N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
CID 139352149
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119695
N,3-diphenyl-N-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 169293076
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-3-amine
CID 168771578

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline?
The IUPAC name of N-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline (CID 160917720) is N-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline?
The canonical SMILES for N-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3N(c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3ccccc3-c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline?
The InChIKey is JHNNSSKCFUGFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NO/c1-4-20-46(21-5-1)47-38-40-48(41-39-47)54-28-11-15-35-62(54)68(63-36-16-12-29-55(63)50-42-43-58-57-30-13-17-37-64(57)69-65(58)45-50)53-27-18-22-49(44-53)56-32-19-34-61-66(56)59-31-10-14-33-60(59)67(61,51-23-6-2-7-24-51)52-25-8-3-9-26-52/h1-45H.
What are the key properties of N-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline?
N-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(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-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 160917720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).