N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine

C51H37NO2 — CID 144623792

IUPACN-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=C(c4cccc5c4oc4ccccc45)CC3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C51H37NO2/c1-51(2)45-18-6-3-11-39(45)40-30-29-36(31-46(40)51)52(34-25-21-32(22-26-34)37-14-9-16-43-41-12-4-7-19-47(41)53-49(37)43)35-27-23-33(24-28-35)38-15-10-17-44-42-13-5-8-20-48(42)54-50(38)44/h3-23,25-27,29-31H,24,28H2,1-2H3
InChIKeyKUZFFZMGBKDTKL-UHFFFAOYSA-N
MW695.86 g/mol
LogP14.36
Rot. Bonds5

About N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine

N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 144623792) has the molecular formula C51H37NO2 and a molecular weight of 695.86 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID144623792
Molecular FormulaC51H37NO2
Molecular Weight695.86 g/mol
Exact Mass695.28
IUPAC NameN-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=C(c4cccc5c4oc4ccccc45)CC3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C51H37NO2/c1-51(2)45-18-6-3-11-39(45)40-30-29-36(31-46(40)51)52(34-25-21-32(22-26-34)37-14-9-16-43-41-12-4-7-19-47(41)53-49(37)43)35-27-23-33(24-28-35)38-15-10-17-44-42-13-5-8-20-48(42)54-50(38)44/h3-23,25-27,29-31H,24,28H2,1-2H3
InChIKeyKUZFFZMGBKDTKL-UHFFFAOYSA-N
XLogP14.36
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.86
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 142340691
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 159965334
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 67964606
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)dibenzofuran-3-amine
CID 169022283
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-triphenylsilylphenyl)fluoren-2-amine
CID 123846353
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)fluoren-2-amine
CID 118369468
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]triphenylen-2-amine
CID 118405775

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine (CID 144623792) is N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(C3=CC=C(c4cccc5c4oc4ccccc45)CC3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is KUZFFZMGBKDTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NO2/c1-51(2)45-18-6-3-11-39(45)40-30-29-36(31-46(40)51)52(34-25-21-32(22-26-34)37-14-9-16-43-41-12-4-7-19-47(41)53-49(37)43)35-27-23-33(24-28-35)38-15-10-17-44-42-13-5-8-20-48(42)54-50(38)44/h3-23,25-27,29-31H,24,28H2,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine?
N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 695.86 g/mol, XLogP of 14.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 144623792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).