9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine

C54H36N2O — CID 122593315

IUPAC9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3cccc5c3oc3cnccc35)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-13-37(14-5-1)39-23-27-42(28-24-39)56(43-29-25-40(26-30-43)38-15-6-2-7-16-38)44-31-32-46-45-19-10-11-21-49(45)54(51(46)35-44,41-17-8-3-9-18-41)50-22-12-20-48-47-33-34-55-36-52(47)57-53(48)50/h1-36H
InChIKeyKXYYQFYQWUBEBC-UHFFFAOYSA-N
MW728.90 g/mol
LogP14.15
Rot. Bonds7

About 9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine

9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 122593315) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
PubChem CID122593315
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3cccc5c3oc3cnccc35)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-13-37(14-5-1)39-23-27-42(28-24-39)56(43-29-25-40(26-30-43)38-15-6-2-7-16-38)44-31-32-46-45-19-10-11-21-49(45)54(51(46)35-44,41-17-8-3-9-18-41)50-22-12-20-48-47-33-34-55-36-52(47)57-53(48)50/h1-36H
InChIKeyKXYYQFYQWUBEBC-UHFFFAOYSA-N
XLogP14.15
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
N-(9,9-diphenylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 169021988
N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 122593353
N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022155
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-[4-([1]benzofuro[2,3-c]pyridin-8-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166861741
4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 169022143
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
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
N-(3,5-diphenylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 163589275

Frequently Asked Questions

What is the IUPAC name of 9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (CID 122593315) is 9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3cccc5c3oc3cnccc35)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The InChIKey is KXYYQFYQWUBEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-4-13-37(14-5-1)39-23-27-42(28-24-39)56(43-29-25-40(26-30-43)38-15-6-2-7-16-38)44-31-32-46-45-19-10-11-21-49(45)54(51(46)35-44,41-17-8-3-9-18-41)50-22-12-20-48-47-33-34-55-36-52(47)57-53(48)50/h1-36H.
What are the key properties of 9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 728.90 g/mol, XLogP of 14.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-([1]benzofuro[2,3-c]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 122593315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).