N-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C55H39NO2 — CID 170144390

IUPACN-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(C3=CCCC=C3c3ccc4oc5ccccc5c4c3)c3cccc4oc5c6ccccc6ccc5c34)cccc21
InChIInChI=1S/C55H39NO2/c1-55(2)44-22-9-5-20-41(44)52-40(21-13-23-45(52)55)38-18-7-11-25-47(38)56(48-26-14-28-51-53(48)42-31-29-34-15-3-4-17-37(34)54(42)58-51)46-24-10-6-16-36(46)35-30-32-50-43(33-35)39-19-8-12-27-49(39)57-50/h3-5,7-9,11-33H,6,10H2,1-2H3
InChIKeyFTCXWMBJSFXKFX-UHFFFAOYSA-N
MW745.92 g/mol
LogP15.51
Rot. Bonds5

About N-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 170144390) has the molecular formula C55H39NO2 and a molecular weight of 745.92 g/mol. Its IUPAC name is N-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID170144390
Molecular FormulaC55H39NO2
Molecular Weight745.92 g/mol
Exact Mass745.30
IUPAC NameN-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(C3=CCCC=C3c3ccc4oc5ccccc5c4c3)c3cccc4oc5c6ccccc6ccc5c34)cccc21
InChIInChI=1S/C55H39NO2/c1-55(2)44-22-9-5-20-41(44)52-40(21-13-23-45(52)55)38-18-7-11-25-47(38)56(48-26-14-28-51-53(48)42-31-29-34-15-3-4-17-37(34)54(42)58-51)46-24-10-6-16-36(46)35-30-32-50-43(33-35)39-19-8-12-27-49(39)57-50/h3-5,7-9,11-33H,6,10H2,1-2H3
InChIKeyFTCXWMBJSFXKFX-UHFFFAOYSA-N
XLogP15.51
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.92
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine with MolForge

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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
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170137694
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170035232
2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 170143125
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 170139193
2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143174
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 166938756
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121792
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 170143261
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-4-amine
CID 174279927
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242

Frequently Asked Questions

What is the IUPAC name of N-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 170144390) is N-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(C3=CCCC=C3c3ccc4oc5ccccc5c4c3)c3cccc4oc5c6ccccc6ccc5c34)cccc21.
What is the InChIKey of N-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is FTCXWMBJSFXKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO2/c1-55(2)44-22-9-5-20-41(44)52-40(21-13-23-45(52)55)38-18-7-11-25-47(38)56(48-26-14-28-51-53(48)42-31-29-34-15-3-4-17-37(34)54(42)58-51)46-24-10-6-16-36(46)35-30-32-50-43(33-35)39-19-8-12-27-49(39)57-50/h3-5,7-9,11-33H,6,10H2,1-2H3.
What are the key properties of N-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 745.92 g/mol, XLogP of 15.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 170144390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).