N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine

C55H37NO2 — CID 177121520

IUPACN-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3cccc4c3oc3c5ccccc5ccc43)ccc21
InChIInChI=1S/C55H37NO2/c1-55(2)47-21-8-5-18-41(47)46-32-37(27-30-48(46)55)39-16-6-9-22-49(39)56(50-23-12-20-44-45-29-25-34-13-3-4-17-40(34)53(45)58-54(44)50)38-15-11-14-35(31-38)36-26-28-43-42-19-7-10-24-51(42)57-52(43)33-36/h3-33H,1-2H3
InChIKeyKKCAOTQYDQCTEK-UHFFFAOYSA-N
MW743.91 g/mol
LogP15.75
Rot. Bonds5

About N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine

N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 177121520) has the molecular formula C55H37NO2 and a molecular weight of 743.91 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID177121520
Molecular FormulaC55H37NO2
Molecular Weight743.91 g/mol
Exact Mass743.28
IUPAC NameN-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3cccc4c3oc3c5ccccc5ccc43)ccc21
InChIInChI=1S/C55H37NO2/c1-55(2)47-21-8-5-18-41(47)46-32-37(27-30-48(46)55)39-16-6-9-22-49(39)56(50-23-12-20-44-45-29-25-34-13-3-4-17-40(34)53(45)58-54(44)50)38-15-11-14-35(31-38)36-26-28-43-42-19-7-10-24-51(42)57-52(43)33-36/h3-33H,1-2H3
InChIKeyKKCAOTQYDQCTEK-UHFFFAOYSA-N
XLogP15.75
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121830
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167402082
9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
CID 177121567
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121792
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839767
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143107
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568183
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 159844294
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-3-amine;12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-10-amine
CID 160770328
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine (CID 177121520) is N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine is CC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3cccc4c3oc3c5ccccc5ccc43)ccc21.
What is the InChIKey of N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is KKCAOTQYDQCTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO2/c1-55(2)47-21-8-5-18-41(47)46-32-37(27-30-48(46)55)39-16-6-9-22-49(39)56(50-23-12-20-44-45-29-25-34-13-3-4-17-40(34)53(45)58-54(44)50)38-15-11-14-35(31-38)36-26-28-43-42-19-7-10-24-51(42)57-52(43)33-36/h3-33H,1-2H3.
What are the key properties of N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 743.91 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 177121520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).