N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine

C55H37NO2 — CID 177121792

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4cccc5c4oc4c6ccccc6ccc54)cc3)cccc21
InChIInChI=1S/C55H37NO2/c1-55(2)47-17-7-5-14-46(47)52-40(15-9-18-48(52)55)36-23-29-39(30-24-36)56(49-19-10-16-44-45-32-25-35-11-3-4-12-41(35)53(45)58-54(44)49)38-27-21-34(22-28-38)37-26-31-43-42-13-6-8-20-50(42)57-51(43)33-37/h3-33H,1-2H3
InChIKeyGCQXVAZQOKLHDO-UHFFFAOYSA-N
MW743.91 g/mol
LogP15.75
Rot. Bonds5

About N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine

N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 177121792) has the molecular formula C55H37NO2 and a molecular weight of 743.91 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID177121792
Molecular FormulaC55H37NO2
Molecular Weight743.91 g/mol
Exact Mass743.28
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4cccc5c4oc4c6ccccc6ccc54)cc3)cccc21
InChIInChI=1S/C55H37NO2/c1-55(2)47-17-7-5-14-46(47)52-40(15-9-18-48(52)55)36-23-29-39(30-24-36)56(49-19-10-16-44-45-32-25-35-11-3-4-12-41(35)53(45)58-54(44)49)38-27-21-34(22-28-38)37-26-31-43-42-13-6-8-20-50(42)57-51(43)33-37/h3-33H,1-2H3
InChIKeyGCQXVAZQOKLHDO-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-(4-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 170138885
4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121652
N-(4-dibenzofuran-3-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804046
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzofuran-1-amine
CID 177121656
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121520
N-dibenzothiophen-2-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121543
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine
CID 177122067
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)naphtho[1,2-b][1]benzothiol-10-amine
CID 177121517
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122090
2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170139876

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine (CID 177121792) is N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4cccc5c4oc4c6ccccc6ccc54)cc3)cccc21.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is GCQXVAZQOKLHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO2/c1-55(2)47-17-7-5-14-46(47)52-40(15-9-18-48(52)55)36-23-29-39(30-24-36)56(49-19-10-16-44-45-32-25-35-11-3-4-12-41(35)53(45)58-54(44)49)38-27-21-34(22-28-38)37-26-31-43-42-13-6-8-20-50(42)57-51(43)33-37/h3-33H,1-2H3.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-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-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 177121792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).