3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine

C67H46N2O — CID 155096723

IUPAC3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(N(c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C67H46N2O/c1-4-19-47(20-5-1)49-37-39-53(40-38-49)68(54-27-16-23-50(43-54)48-21-6-2-7-22-48)56-29-18-30-57(45-56)69(58-41-42-66-62(46-58)61-33-12-15-36-65(61)70-66)55-28-17-26-52(44-55)67(51-24-8-3-9-25-51)63-34-13-10-31-59(63)60-32-11-14-35-64(60)67/h1-46H
InChIKeyCZWWWXYITWIRIH-UHFFFAOYSA-N
MW895.12 g/mol
LogP18.22
Rot. Bonds10

About 3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine

3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 155096723) has the molecular formula C67H46N2O and a molecular weight of 895.12 g/mol. Its IUPAC name is 3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
PubChem CID155096723
Molecular FormulaC67H46N2O
Molecular Weight895.12 g/mol
Exact Mass894.36
IUPAC Name3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(N(c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C67H46N2O/c1-4-19-47(20-5-1)49-37-39-53(40-38-49)68(54-27-16-23-50(43-54)48-21-6-2-7-22-48)56-29-18-30-57(45-56)69(58-41-42-66-62(46-58)61-33-12-15-36-65(61)70-66)55-28-17-26-52(44-55)67(51-24-8-3-9-25-51)63-34-13-10-31-59(63)60-32-11-14-35-64(60)67/h1-46H
InChIKeyCZWWWXYITWIRIH-UHFFFAOYSA-N
XLogP18.22
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.12
LogP ≤ 518.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-dibenzofuran-2-yl-1-N-(3,4-diphenylphenyl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 162032569
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096638
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381580
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 159899599
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154
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-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769
N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163432313
N,7-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 163960848

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine (CID 155096723) is 3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc(N(c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c4ccc5oc6ccccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is CZWWWXYITWIRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2O/c1-4-19-47(20-5-1)49-37-39-53(40-38-49)68(54-27-16-23-50(43-54)48-21-6-2-7-22-48)56-29-18-30-57(45-56)69(58-41-42-66-62(46-58)61-33-12-15-36-65(61)70-66)55-28-17-26-52(44-55)67(51-24-8-3-9-25-51)63-34-13-10-31-59(63)60-32-11-14-35-64(60)67/h1-46H.
What are the key properties of 3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 895.12 g/mol, XLogP of 18.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 155096723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).