N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine

C49H31NO2 — CID 166134830

IUPACN-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2cc3c(c(N(c4cccc5oc6ccccc6c45)c4cccc5oc6ccccc6c45)c2-c2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C49H31NO2/c1-3-15-31(16-4-1)37-30-38-34-20-8-7-19-33(34)29-39(38)49(46(37)32-17-5-2-6-18-32)50(40-23-13-27-44-47(40)35-21-9-11-25-42(35)51-44)41-24-14-28-45-48(41)36-22-10-12-26-43(36)52-45/h1-28,30H,29H2
InChIKeyKIONICSXTXWSLY-UHFFFAOYSA-N
MW665.79 g/mol
LogP13.86
Rot. Bonds5

About N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine

N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine (PubChem CID 166134830) has the molecular formula C49H31NO2 and a molecular weight of 665.79 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine
PubChem CID166134830
Molecular FormulaC49H31NO2
Molecular Weight665.79 g/mol
Exact Mass665.24
IUPAC NameN-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2cc3c(c(N(c4cccc5oc6ccccc6c45)c4cccc5oc6ccccc6c45)c2-c2ccccc2)Cc2ccccc2-3)cc1
InChIInChI=1S/C49H31NO2/c1-3-15-31(16-4-1)37-30-38-34-20-8-7-19-33(34)29-39(38)49(46(37)32-17-5-2-6-18-32)50(40-23-13-27-44-47(40)35-21-9-11-25-42(35)51-44)41-24-14-28-45-48(41)36-22-10-12-26-43(36)52-45/h1-28,30H,29H2
InChIKeyKIONICSXTXWSLY-UHFFFAOYSA-N
XLogP13.86
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.79
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 166135046
dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304231
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
2-N,6-N-di(dibenzofuran-1-yl)-3,7-diphenyl-2-N,6-N-bis(2-phenylphenyl)naphthalene-2,6-diamine
CID 158255217
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790854
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301528
N-dibenzofuran-1-yl-N-(10-phenylphenanthren-9-yl)dibenzofuran-4-amine
CID 155303746
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-(9,10-diphenylphenanthren-2-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-1-amine
CID 169063231

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine (CID 166134830) is N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine is c1ccc(-c2cc3c(c(N(c4cccc5oc6ccccc6c45)c4cccc5oc6ccccc6c45)c2-c2ccccc2)Cc2ccccc2-3)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine?
The InChIKey is KIONICSXTXWSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NO2/c1-3-15-31(16-4-1)37-30-38-34-20-8-7-19-33(34)29-39(38)49(46(37)32-17-5-2-6-18-32)50(40-23-13-27-44-47(40)35-21-9-11-25-42(35)51-44)41-24-14-28-45-48(41)36-22-10-12-26-43(36)52-45/h1-28,30H,29H2.
What are the key properties of N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine?
N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine has a molecular weight of 665.79 g/mol, XLogP of 13.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine is sourced from PubChem (CID 166134830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).