4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine

C71H47NO — CID 164724674

IUPAC4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)cccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C71H47NO/c1-4-18-48(19-5-1)50-36-42-55(43-37-50)72(56-44-38-51(39-45-56)49-20-6-2-7-21-49)68-47-46-59(58-24-10-11-27-62(58)68)63-29-17-31-65-64-30-16-28-57(69(64)73-70(63)65)52-34-40-54(41-35-52)71(53-22-8-3-9-23-53)66-32-14-12-25-60(66)61-26-13-15-33-67(61)71/h1-47H
InChIKeyQAVCRFQAZLRUHD-UHFFFAOYSA-N
MW930.16 g/mol
LogP19.24
Rot. Bonds9

About 4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine

4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine (PubChem CID 164724674) has the molecular formula C71H47NO and a molecular weight of 930.16 g/mol. Its IUPAC name is 4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine
PubChem CID164724674
Molecular FormulaC71H47NO
Molecular Weight930.16 g/mol
Exact Mass929.37
IUPAC Name4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)cccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C71H47NO/c1-4-18-48(19-5-1)50-36-42-55(43-37-50)72(56-44-38-51(39-45-56)49-20-6-2-7-21-49)68-47-46-59(58-24-10-11-27-62(58)68)63-29-17-31-65-64-30-16-28-57(69(64)73-70(63)65)52-34-40-54(41-35-52)71(53-22-8-3-9-23-53)66-32-14-12-25-60(66)61-26-13-15-33-67(61)71/h1-47H
InChIKeyQAVCRFQAZLRUHD-UHFFFAOYSA-N
XLogP19.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.16
LogP ≤ 519.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 164724700
9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-(9,9-diphenylfluoren-2-yl)-7,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 171752062
N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134415343
N-(9,9-diphenylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 169021988
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)-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(3-phenylphenyl)aniline
CID 121381288
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(6-methyldibenzofuran-4-yl)phenyl]-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 162209863
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421380
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine (CID 164724674) is 4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4c(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)cccc45)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is QAVCRFQAZLRUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47NO/c1-4-18-48(19-5-1)50-36-42-55(43-37-50)72(56-44-38-51(39-45-56)49-20-6-2-7-21-49)68-47-46-59(58-24-10-11-27-62(58)68)63-29-17-31-65-64-30-16-28-57(69(64)73-70(63)65)52-34-40-54(41-35-52)71(53-22-8-3-9-23-53)66-32-14-12-25-60(66)61-26-13-15-33-67(61)71/h1-47H.
What are the key properties of 4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine?
4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 930.16 g/mol, XLogP of 19.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 164724674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).