1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine

C49H34N2O — CID 168799136

IUPAC1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3oc4c(Nc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cccc4c23)cc1
InChIInChI=1S/C49H34N2O/c1-4-16-34(17-5-1)49(42-25-12-10-22-39(42)40-23-11-13-26-43(40)49)35-30-32-36(33-31-35)50-44-27-14-24-41-47-45(28-15-29-46(47)52-48(41)44)51(37-18-6-2-7-19-37)38-20-8-3-9-21-38/h1-33,50H
InChIKeyZAKVOGNJTNLABU-UHFFFAOYSA-N
MW666.82 g/mol
LogP13.16
Rot. Bonds7

About 1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine

1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine (PubChem CID 168799136) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is 1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine.

Molecular Properties

Compound Name1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine
PubChem CID168799136
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC Name1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc3oc4c(Nc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cccc4c23)cc1
InChIInChI=1S/C49H34N2O/c1-4-16-34(17-5-1)49(42-25-12-10-22-39(42)40-23-11-13-26-43(40)49)35-30-32-36(33-31-35)50-44-27-14-24-41-47-45(28-15-29-46(47)52-48(41)44)51(37-18-6-2-7-19-37)38-20-8-3-9-21-38/h1-33,50H
InChIKeyZAKVOGNJTNLABU-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-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine with MolForge

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Related Compounds

1-N,1-N-diphenyl-8-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,8-diamine
CID 170941500
N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163667046
N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022316
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
N,8-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine
CID 139384360
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423223
N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 121381379
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 135195874
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
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017
8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine?
The IUPAC name of 1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine (CID 168799136) is 1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine.
What is the SMILES notation for 1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine?
The canonical SMILES for 1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine is c1ccc(N(c2ccccc2)c2cccc3oc4c(Nc5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cccc4c23)cc1.
What is the InChIKey of 1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine?
The InChIKey is ZAKVOGNJTNLABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-4-16-34(17-5-1)49(42-25-12-10-22-39(42)40-23-11-13-26-43(40)49)35-30-32-36(33-31-35)50-44-27-14-24-41-47-45(28-15-29-46(47)52-48(41)44)51(37-18-6-2-7-19-37)38-20-8-3-9-21-38/h1-33,50H.
What are the key properties of 1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine?
1-N,1-N-diphenyl-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-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-6-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1,6-diamine is sourced from PubChem (CID 168799136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).