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

C54H36N2O — CID 122593311

IUPAC9-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5oc6cccnc6c5c3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-13-37(14-5-1)39-22-27-43(28-23-39)56(44-29-24-40(25-30-44)38-15-6-2-7-16-38)45-31-32-47-46-19-10-11-20-49(46)54(50(47)36-45,41-17-8-3-9-18-41)42-26-33-51-48(35-42)53-52(57-51)21-12-34-55-53/h1-36H
InChIKeyDLMMUKLPIRXJPL-UHFFFAOYSA-N
MW728.90 g/mol
LogP14.15
Rot. Bonds7

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

9-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 122593311) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 9-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
PubChem CID122593311
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name9-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5oc6cccnc6c5c3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-13-37(14-5-1)39-22-27-43(28-23-39)56(44-29-24-40(25-30-44)38-15-6-2-7-16-38)45-31-32-47-46-19-10-11-20-49(46)54(50(47)36-45,41-17-8-3-9-18-41)42-26-33-51-48(35-42)53-52(57-51)21-12-34-55-53/h1-36H
InChIKeyDLMMUKLPIRXJPL-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

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Related Compounds

N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N,9,9-triphenylfluoren-2-amine
CID 134452942
N-(9,9-diphenylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050339
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176759858
N-(4-dibenzofuran-2-ylphenyl)-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675340
9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine
CID 157052053
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
N-[4-(4-phenylphenyl)phenyl]-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]dibenzofuran-3-amine;7-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]dibenzothiophen-3-amine;9-phenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 163854265

Frequently Asked Questions

What is the IUPAC name of 9-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (CID 122593311) is 9-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccc5oc6cccnc6c5c3)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 9-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The InChIKey is DLMMUKLPIRXJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-4-13-37(14-5-1)39-22-27-43(28-23-39)56(44-29-24-40(25-30-44)38-15-6-2-7-16-38)45-31-32-47-46-19-10-11-20-49(46)54(50(47)36-45,41-17-8-3-9-18-41)42-26-33-51-48(35-42)53-52(57-51)21-12-34-55-53/h1-36H.
What are the key properties of 9-([1]benzofuro[3,2-b]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
9-([1]benzofuro[3,2-b]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[3,2-b]pyridin-8-yl)-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 122593311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).