N-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine

C78H56N2O2 — CID 134442292

IUPACN-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine
SMILESCc1cccc(-c2ccccc2N(c2ccc3c(c2)C(C)(C2(C)c4ccccc4-c4ccc(N(c5ccccc5-c5ccccc5C)c5cccc6c5oc5ccccc56)cc42)c2ccccc2-3)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C78H56N2O2/c1-49-22-19-24-51(46-49)55-26-9-15-36-69(55)79(71-38-20-32-63-61-30-11-17-40-73(61)81-75(63)71)52-42-44-58-56-27-7-13-34-65(56)77(3,67(58)47-52)78(4)66-35-14-8-28-57(66)59-45-43-53(48-68(59)78)80(70-37-16-10-29-60(70)54-25-6-5-23-50(54)2)72-39-21-33-64-62-31-12-18-41-74(62)82-76(64)72/h5-48H,1-4H3
InChIKeyCFNXPJPCQZFICG-UHFFFAOYSA-N
MW1053.32 g/mol
LogP21.65
Rot. Bonds9

About N-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine

N-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 134442292) has the molecular formula C78H56N2O2 and a molecular weight of 1053.32 g/mol. Its IUPAC name is N-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID134442292
Molecular FormulaC78H56N2O2
Molecular Weight1053.32 g/mol
Exact Mass1052.43
IUPAC NameN-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine
SMILESCc1cccc(-c2ccccc2N(c2ccc3c(c2)C(C)(C2(C)c4ccccc4-c4ccc(N(c5ccccc5-c5ccccc5C)c5cccc6c5oc5ccccc56)cc42)c2ccccc2-3)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C78H56N2O2/c1-49-22-19-24-51(46-49)55-26-9-15-36-69(55)79(71-38-20-32-63-61-30-11-17-40-73(61)81-75(63)71)52-42-44-58-56-27-7-13-34-65(56)77(3,67(58)47-52)78(4)66-35-14-8-28-57(66)59-45-43-53(48-68(59)78)80(70-37-16-10-29-60(70)54-25-6-5-23-50(54)2)72-39-21-33-64-62-31-12-18-41-74(62)82-76(64)72/h5-48H,1-4H3
InChIKeyCFNXPJPCQZFICG-UHFFFAOYSA-N
XLogP21.65
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.32
LogP ≤ 521.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 122675407
N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine
CID 90277902
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 130379438
5-N,16-N-di(dibenzofuran-4-yl)-8,8,20-trimethyl-5-N-phenyl-16-N-(2-phenylphenyl)pentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633607
N-[14,14-dimethyl-11-(3-methylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-18,18,21,21-tetramethyl-N-(2-phenylphenyl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164801574
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]naphthalen-1-yl]-N-phenyldibenzofuran-4-amine
CID 71126683
6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-bis(6-phenyldibenzofuran-4-yl)-6-N,16-N-bis(2-phenylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 161325238
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839767
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-bis(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene-2,6-diamine
CID 89254675
N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 140862629

Frequently Asked Questions

What is the IUPAC name of N-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine (CID 134442292) is N-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine is Cc1cccc(-c2ccccc2N(c2ccc3c(c2)C(C)(C2(C)c4ccccc4-c4ccc(N(c5ccccc5-c5ccccc5C)c5cccc6c5oc5ccccc56)cc42)c2ccccc2-3)c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is CFNXPJPCQZFICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56N2O2/c1-49-22-19-24-51(46-49)55-26-9-15-36-69(55)79(71-38-20-32-63-61-30-11-17-40-73(61)81-75(63)71)52-42-44-58-56-27-7-13-34-65(56)77(3,67(58)47-52)78(4)66-35-14-8-28-57(66)59-45-43-53(48-68(59)78)80(70-37-16-10-29-60(70)54-25-6-5-23-50(54)2)72-39-21-33-64-62-31-12-18-41-74(62)82-76(64)72/h5-48H,1-4H3.
What are the key properties of N-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine?
N-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 1053.32 g/mol, XLogP of 21.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[2-[N-dibenzofuran-4-yl-2-(2-methylphenyl)anilino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]-N-[2-(3-methylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 134442292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).