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

C80H54N2O — CID 155096767

IUPAC3-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
SMILESc1ccc(-c2ccccc2N(c2cccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C80H54N2O/c1-5-26-55(27-6-1)64-38-16-21-47-74(64)81(63-50-51-68-67-41-17-22-49-76(67)83-77(68)54-63)61-36-24-37-62(53-61)82(60-35-23-34-59(52-60)80(58-32-11-4-12-33-58)70-43-18-13-39-65(70)66-40-14-19-44-71(66)80)75-48-25-46-73-78(75)69-42-15-20-45-72(69)79(73,56-28-7-2-8-29-56)57-30-9-3-10-31-57/h1-54H
InChIKeyLPWGVMYEZFGXFU-UHFFFAOYSA-N
MW1059.33 g/mol
LogP20.92
Rot. Bonds11

About 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

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 (PubChem CID 155096767) has the molecular formula C80H54N2O and a molecular weight of 1059.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID155096767
Molecular FormulaC80H54N2O
Molecular Weight1059.33 g/mol
Exact Mass1058.42
IUPAC Name3-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
SMILESc1ccc(-c2ccccc2N(c2cccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C80H54N2O/c1-5-26-55(27-6-1)64-38-16-21-47-74(64)81(63-50-51-68-67-41-17-22-49-76(67)83-77(68)54-63)61-36-24-37-62(53-61)82(60-35-23-34-59(52-60)80(58-32-11-4-12-33-58)70-43-18-13-39-65(70)66-40-14-19-44-71(66)80)75-48-25-46-73-78(75)69-42-15-20-45-72(69)79(73,56-28-7-2-8-29-56)57-30-9-3-10-31-57/h1-54H
InChIKeyLPWGVMYEZFGXFU-UHFFFAOYSA-N
XLogP20.92
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.33
LogP ≤ 520.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-dibenzofuran-2-yl-3-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine;3-N-dibenzofuran-3-yl-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-3-yl-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157167545
N-(9,9-diphenylfluoren-3-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790790
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 158324524
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-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119695
N-(2-dibenzofuran-3-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 160917720
N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-4-yl]dibenzofuran-3-amine
CID 163671678
1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine
CID 155096765
N-(9,9-diphenylfluoren-4-yl)-N-(9-methyl-9-phenylfluoren-3-yl)dibenzofuran-3-amine
CID 171453579
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 161457556
3-dibenzofuran-1-yl-N,2-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170666333

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccccc2N(c2cccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is LPWGVMYEZFGXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H54N2O/c1-5-26-55(27-6-1)64-38-16-21-47-74(64)81(63-50-51-68-67-41-17-22-49-76(67)83-77(68)54-63)61-36-24-37-62(53-61)82(60-35-23-34-59(52-60)80(58-32-11-4-12-33-58)70-43-18-13-39-65(70)66-40-14-19-44-71(66)80)75-48-25-46-73-78(75)69-42-15-20-45-72(69)79(73,56-28-7-2-8-29-56)57-30-9-3-10-31-57/h1-54H.
What are the key properties of 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?
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 has a molecular weight of 1059.33 g/mol, XLogP of 20.92, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155096767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).