N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

C57H41NO — CID 167285328

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(-c5ccccc5)cc4)c3-c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C57H41NO/c1-57(2)49-26-13-11-22-45(49)46-36-35-42(37-50(46)57)58(52-28-16-30-54-56(52)48-24-12-14-29-53(48)59-54)51-27-15-25-44(41-33-31-39(32-34-41)38-17-5-3-6-18-38)55(51)47-23-10-9-21-43(47)40-19-7-4-8-20-40/h3-37H,1-2H3
InChIKeyXRECPKQCGNLHPX-UHFFFAOYSA-N
MW755.96 g/mol
LogP16.03
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine

N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 167285328) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID167285328
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(-c5ccccc5)cc4)c3-c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C57H41NO/c1-57(2)49-26-13-11-22-45(49)46-36-35-42(37-50(46)57)58(52-28-16-30-54-56(52)48-24-12-14-29-53(48)59-54)51-27-15-25-44(41-33-31-39(32-34-41)38-17-5-3-6-18-38)55(51)47-23-10-9-21-43(47)40-19-7-4-8-20-40/h3-37H,1-2H3
InChIKeyXRECPKQCGNLHPX-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788461
N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285876
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168788681
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790894
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[1-(2-phenylphenyl)dibenzofuran-2-yl]phenyl]fluoren-2-amine
CID 177281131
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168788568
N,N-bis(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)dibenzofuran-2-amine
CID 177281391
N-(9,9-dimethylfluoren-1-yl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788313
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168789334
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine
CID 170722738

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 167285328) is N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc(-c5ccccc5)cc4)c3-c3ccccc3-c3ccccc3)c3cccc4oc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is XRECPKQCGNLHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-57(2)49-26-13-11-22-45(49)46-36-35-42(37-50(46)57)58(52-28-16-30-54-56(52)48-24-12-14-29-53(48)59-54)51-27-15-25-44(41-33-31-39(32-34-41)38-17-5-3-6-18-38)55(51)47-23-10-9-21-43(47)40-19-7-4-8-20-40/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 755.96 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 167285328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).