N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine

C59H41NO — CID 134415343

IUPACN-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESC=Cc1ccc(C2(c3ccc(C=C)cc3)c3ccccc3-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)ccc32)cc1
InChIInChI=1S/C59H41NO/c1-3-40-25-31-45(32-26-40)59(46-33-27-41(4-2)28-34-46)54-23-12-11-19-50(54)53-39-48(37-38-55(53)59)60(47-35-29-43(30-36-47)42-15-7-5-8-16-42)56-24-14-22-52-51-21-13-20-49(57(51)61-58(52)56)44-17-9-6-10-18-44/h3-39H,1-2H2
InChIKeyLBUJMVWYNUOUCJ-UHFFFAOYSA-N
MW779.98 g/mol
LogP16.04
Rot. Bonds9

About N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine

N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 134415343) has the molecular formula C59H41NO and a molecular weight of 779.98 g/mol. Its IUPAC name is N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID134415343
Molecular FormulaC59H41NO
Molecular Weight779.98 g/mol
Exact Mass779.32
IUPAC NameN-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESC=Cc1ccc(C2(c3ccc(C=C)cc3)c3ccccc3-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)ccc32)cc1
InChIInChI=1S/C59H41NO/c1-3-40-25-31-45(32-26-40)59(46-33-27-41(4-2)28-34-46)54-23-12-11-19-50(54)53-39-48(37-38-55(53)59)60(47-35-29-43(30-36-47)42-15-7-5-8-16-42)56-24-14-22-52-51-21-13-20-49(57(51)61-58(52)56)44-17-9-6-10-18-44/h3-39H,1-2H2
InChIKeyLBUJMVWYNUOUCJ-UHFFFAOYSA-N
XLogP16.04
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.98
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 169021988
4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 164724674
4-phenyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 164724700
N-[4-(9-naphthalen-2-ylfluoren-9-yl)phenyl]-N,6-diphenyldibenzofuran-4-amine
CID 138669005
9-(4-ethenylphenyl)-N-[4-[4-[4-[[9-(4-ethenylphenyl)-9-phenylfluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 170070824
N-(4-dibenzofuran-4-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839801
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)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 142480664
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 159727177
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
CID 168805222
2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121467
4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine
CID 177262601

Frequently Asked Questions

What is the IUPAC name of N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 134415343) is N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine is C=Cc1ccc(C2(c3ccc(C=C)cc3)c3ccccc3-c3cc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4oc4c(-c6ccccc6)cccc45)ccc32)cc1.
What is the InChIKey of N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is LBUJMVWYNUOUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41NO/c1-3-40-25-31-45(32-26-40)59(46-33-27-41(4-2)28-34-46)54-23-12-11-19-50(54)53-39-48(37-38-55(53)59)60(47-35-29-43(30-36-47)42-15-7-5-8-16-42)56-24-14-22-52-51-21-13-20-49(57(51)61-58(52)56)44-17-9-6-10-18-44/h3-39H,1-2H2.
What are the key properties of N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 779.98 g/mol, XLogP of 16.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-bis(4-ethenylphenyl)fluoren-3-yl]-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 134415343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).