1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine

C49H34N2O — CID 170941500

IUPAC1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3oc4ccc(Nc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cc4c23)cc1
InChIInChI=1S/C49H34N2O/c1-4-15-34(16-5-1)49(43-23-12-10-21-40(43)41-22-11-13-24-44(41)49)35-27-29-36(30-28-35)50-37-31-32-46-42(33-37)48-45(25-14-26-47(48)52-46)51(38-17-6-2-7-18-38)39-19-8-3-9-20-39/h1-33,50H
InChIKeyDWVFCUTXIQAQMI-UHFFFAOYSA-N
MW666.82 g/mol
LogP13.16
Rot. Bonds7

About 1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine

1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine (PubChem CID 170941500) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is 1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine.

Molecular Properties

Compound Name1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine
PubChem CID170941500
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC Name1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3oc4ccc(Nc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cc4c23)cc1
InChIInChI=1S/C49H34N2O/c1-4-15-34(16-5-1)49(43-23-12-10-21-40(43)41-22-11-13-24-44(41)49)35-27-29-36(30-28-35)50-37-31-32-46-42(33-37)48-45(25-14-26-47(48)52-46)51(38-17-6-2-7-18-38)39-19-8-3-9-20-39/h1-33,50H
InChIKeyDWVFCUTXIQAQMI-UHFFFAOYSA-N
XLogP13.16
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 513.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine with MolForge

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Related Compounds

N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine
CID 168799136
8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 126701110
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
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
1-N,3-N-di(dibenzofuran-1-yl)-1-N-(9,9-diphenylfluoren-3-yl)-3-N-(9,9-diphenylfluoren-4-yl)benzene-1,3-diamine
CID 155312684
N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 175441653
3-N-dibenzofuran-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 147012839
N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 169293098

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine?
The IUPAC name of 1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine (CID 170941500) is 1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine.
What is the SMILES notation for 1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine?
The canonical SMILES for 1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine is c1ccc(N(c2ccccc2)c2cccc3oc4ccc(Nc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cc4c23)cc1.
What is the InChIKey of 1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine?
The InChIKey is DWVFCUTXIQAQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-4-15-34(16-5-1)49(43-23-12-10-21-40(43)41-22-11-13-24-44(41)49)35-27-29-36(30-28-35)50-37-31-32-46-42(33-37)48-45(25-14-26-47(48)52-46)51(38-17-6-2-7-18-38)39-19-8-3-9-20-39/h1-33,50H.
What are the key properties of 1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine?
1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine has a molecular weight of 666.82 g/mol, XLogP of 13.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine is sourced from PubChem (CID 170941500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).