N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine

C45H31NO2 — CID 169223637

IUPACN-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)c(-c3ccccc3)c21
InChIInChI=1S/C45H31NO2/c1-45(2)33-19-9-6-16-29(33)30-26-27-36(41(44(30)45)28-14-4-3-5-15-28)46(34-20-12-24-39-42(34)31-17-7-10-22-37(31)47-39)35-21-13-25-40-43(35)32-18-8-11-23-38(32)48-40/h3-27H,1-2H3
InChIKeyYKGXJVMSPCNOPK-UHFFFAOYSA-N
MW617.75 g/mol
LogP12.93
Rot. Bonds4

About N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine

N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine (PubChem CID 169223637) has the molecular formula C45H31NO2 and a molecular weight of 617.75 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine
PubChem CID169223637
Molecular FormulaC45H31NO2
Molecular Weight617.75 g/mol
Exact Mass617.24
IUPAC NameN-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)c(-c3ccccc3)c21
InChIInChI=1S/C45H31NO2/c1-45(2)33-19-9-6-16-29(33)30-26-27-36(41(44(30)45)28-14-4-3-5-15-28)46(34-20-12-24-39-42(34)31-17-7-10-22-37(31)47-39)35-21-13-25-40-43(35)32-18-8-11-23-38(32)48-40/h3-27H,1-2H3
InChIKeyYKGXJVMSPCNOPK-UHFFFAOYSA-N
XLogP12.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.75
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788313
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790894
N-[4-(9,9-dimethyl-1-phenylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 135271066
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine
CID 170666178
N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069590
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 176583226
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788461
N-[4-(7,7-dimethyl-4-phenylfluoreno[2,3-b][1]benzofuran-6-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 159530735
N-(3-dibenzofuran-1-yl-2,5-diphenylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-amine
CID 176763185
N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285674

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine (CID 169223637) is N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc4oc5ccccc5c34)c3cccc4oc5ccccc5c34)c(-c3ccccc3)c21.
What is the InChIKey of N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine?
The InChIKey is YKGXJVMSPCNOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31NO2/c1-45(2)33-19-9-6-16-29(33)30-26-27-36(41(44(30)45)28-14-4-3-5-15-28)46(34-20-12-24-39-42(34)31-17-7-10-22-37(31)47-39)35-21-13-25-40-43(35)32-18-8-11-23-38(32)48-40/h3-27H,1-2H3.
What are the key properties of N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine?
N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine has a molecular weight of 617.75 g/mol, XLogP of 12.93, 4 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-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 169223637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).