9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine

C45H29NO — CID 171727514

IUPAC9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine
SMILESC(#CC1(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2c(N(c3ccccc3)c3ccccc3)cccc21)c1ccccc1
InChIInChI=1S/C45H29NO/c1-4-15-32(16-5-1)29-30-45(33-27-28-37-36-21-11-13-26-42(36)47-43(37)31-33)39-23-12-10-22-38(39)44-40(45)24-14-25-41(44)46(34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-28,31H
InChIKeyNADOHJHNOMLXKY-UHFFFAOYSA-N
MW599.73 g/mol
LogP11.42
Rot. Bonds4

About 9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine

9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine (PubChem CID 171727514) has the molecular formula C45H29NO and a molecular weight of 599.73 g/mol. Its IUPAC name is 9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine.

Molecular Properties

Compound Name9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine
PubChem CID171727514
Molecular FormulaC45H29NO
Molecular Weight599.73 g/mol
Exact Mass599.22
IUPAC Name9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine
SMILESC(#CC1(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2c(N(c3ccccc3)c3ccccc3)cccc21)c1ccccc1
InChIInChI=1S/C45H29NO/c1-4-15-32(16-5-1)29-30-45(33-27-28-37-36-21-11-13-26-42(36)47-43(37)31-33)39-23-12-10-22-38(39)44-40(45)24-14-25-41(44)46(34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-28,31H
InChIKeyNADOHJHNOMLXKY-UHFFFAOYSA-N
XLogP11.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.73
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 167218091
N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine
CID 171727614
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568183
N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
CID 164972233
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-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 163834349
4-[9-(2-phenylethynyl)fluoren-9-yl]-N,N-bis[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]aniline
CID 146504426
N-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
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,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 176808426
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine?
The IUPAC name of 9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine (CID 171727514) is 9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine.
What is the SMILES notation for 9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine?
The canonical SMILES for 9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine is C(#CC1(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2c(N(c3ccccc3)c3ccccc3)cccc21)c1ccccc1.
What is the InChIKey of 9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine?
The InChIKey is NADOHJHNOMLXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29NO/c1-4-15-32(16-5-1)29-30-45(33-27-28-37-36-21-11-13-26-42(36)47-43(37)31-33)39-23-12-10-22-38(39)44-40(45)24-14-25-41(44)46(34-17-6-2-7-18-34)35-19-8-3-9-20-35/h1-28,31H.
What are the key properties of 9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine?
9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine has a molecular weight of 599.73 g/mol, XLogP of 11.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-3-yl-N,N-diphenyl-9-(2-phenylethynyl)fluoren-4-amine is sourced from PubChem (CID 171727514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).