4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine

C68H43NO — CID 169022143

IUPAC4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(oc5ccccc54)c3C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C68H43NO/c1-3-19-44(20-4-1)45-35-37-47(38-36-45)69(48-39-40-54-53-27-11-17-33-61(53)68(62(54)43-48)59-31-15-9-25-51(59)52-26-10-16-32-60(52)68)63-42-41-56-55-28-12-18-34-64(55)70-66(56)65(63)67(46-21-5-2-6-22-46)57-29-13-7-23-49(57)50-24-8-14-30-58(50)67/h1-43H
InChIKeyYPZQNXHHTDAJOC-UHFFFAOYSA-N
MW890.10 g/mol
LogP17.43
Rot. Bonds6

About 4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine

4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine (PubChem CID 169022143) has the molecular formula C68H43NO and a molecular weight of 890.10 g/mol. Its IUPAC name is 4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound Name4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
PubChem CID169022143
Molecular FormulaC68H43NO
Molecular Weight890.10 g/mol
Exact Mass889.33
IUPAC Name4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(oc5ccccc54)c3C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C68H43NO/c1-3-19-44(20-4-1)45-35-37-47(38-36-45)69(48-39-40-54-53-27-11-17-33-61(53)68(62(54)43-48)59-31-15-9-25-51(59)52-26-10-16-32-60(52)68)63-42-41-56-55-28-12-18-34-64(55)70-66(56)65(63)67(46-21-5-2-6-22-46)57-29-13-7-23-49(57)50-24-8-14-30-58(50)67/h1-43H
InChIKeyYPZQNXHHTDAJOC-UHFFFAOYSA-N
XLogP17.43
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.10
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-(4-naphthalen-1-ylphenyl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022149
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 135195874
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421380
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158287693
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423223
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 135277308
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
The IUPAC name of 4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine (CID 169022143) is 4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for 4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
The canonical SMILES for 4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(oc5ccccc54)c3C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
The InChIKey is YPZQNXHHTDAJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NO/c1-3-19-44(20-4-1)45-35-37-47(38-36-45)69(48-39-40-54-53-27-11-17-33-61(53)68(62(54)43-48)59-31-15-9-25-51(59)52-26-10-16-32-60(52)68)63-42-41-56-55-28-12-18-34-64(55)70-66(56)65(63)67(46-21-5-2-6-22-46)57-29-13-7-23-49(57)50-24-8-14-30-58(50)67/h1-43H.
What are the key properties of 4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine has a molecular weight of 890.10 g/mol, XLogP of 17.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 169022143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).