N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine

C55H37NO2 — CID 177281538

IUPACN-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C55H37NO2/c1-55(2)45-19-9-5-16-40(45)41-27-26-38(33-46(41)55)56(47-20-10-6-15-39(47)36-25-29-51-44(32-36)42-17-7-11-21-49(42)57-51)48-28-30-52-54(43-18-8-12-22-50(43)58-52)53(48)37-24-23-34-13-3-4-14-35(34)31-37/h3-33H,1-2H3
InChIKeyPWEADXMXIGJSBA-UHFFFAOYSA-N
MW743.91 g/mol
LogP15.75
Rot. Bonds5

About N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine

N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine (PubChem CID 177281538) has the molecular formula C55H37NO2 and a molecular weight of 743.91 g/mol. Its IUPAC name is N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine
PubChem CID177281538
Molecular FormulaC55H37NO2
Molecular Weight743.91 g/mol
Exact Mass743.28
IUPAC NameN-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C55H37NO2/c1-55(2)45-19-9-5-16-40(45)41-27-26-38(33-46(41)55)56(47-20-10-6-15-39(47)36-25-29-51-44(32-36)42-17-7-11-21-49(42)57-51)48-28-30-52-54(43-18-8-12-22-50(43)58-52)53(48)37-24-23-34-13-3-4-14-35(34)31-37/h3-33H,1-2H3
InChIKeyPWEADXMXIGJSBA-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-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(2-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 177281319
N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281265
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[2-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]fluoren-2-amine
CID 167121566
1-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 177294550
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281250
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 170535955
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-N-(2-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 161066288
N-dibenzofuran-3-yl-N,7-bis(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170674918
N-(3-dibenzofuran-2-yl-2-phenanthren-9-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
CID 177274937
N-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 157360229
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-2-amine
CID 177280648
N-(2-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167324589

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine?
The IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine (CID 177281538) is N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine.
What is the SMILES notation for N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine?
The canonical SMILES for N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccc4oc5ccccc5c4c3)c3ccc4oc5ccccc5c4c3-c3ccc4ccccc4c3)cc21.
What is the InChIKey of N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine?
The InChIKey is PWEADXMXIGJSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NO2/c1-55(2)45-19-9-5-16-40(45)41-27-26-38(33-46(41)55)56(47-20-10-6-15-39(47)36-25-29-51-44(32-36)42-17-7-11-21-49(42)57-51)48-28-30-52-54(43-18-8-12-22-50(43)58-52)53(48)37-24-23-34-13-3-4-14-35(34)31-37/h3-33H,1-2H3.
What are the key properties of N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine?
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-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-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine is sourced from PubChem (CID 177281538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).