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

C57H41NO — CID 177069498

IUPACN-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c3ccc(-c4ccccc4)c4oc5ccccc5c34)ccc21
InChIInChI=1S/C57H41NO/c1-57(2)50-25-12-9-23-47(50)49-37-43(32-34-51(49)57)45-22-10-13-26-52(45)58(44-21-15-20-42(36-44)40-30-28-39(29-31-40)38-16-5-3-6-17-38)53-35-33-46(41-18-7-4-8-19-41)56-55(53)48-24-11-14-27-54(48)59-56/h3-37H,1-2H3
InChIKeyNNSCUSKPKOLULY-UHFFFAOYSA-N
MW755.96 g/mol
LogP16.03
Rot. Bonds7

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

N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 177069498) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID177069498
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC NameN-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c3ccc(-c4ccccc4)c4oc5ccccc5c34)ccc21
InChIInChI=1S/C57H41NO/c1-57(2)50-25-12-9-23-47(50)49-37-43(32-34-51(49)57)45-22-10-13-26-52(45)58(44-21-15-20-42(36-44)40-30-28-39(29-31-40)38-16-5-3-6-17-38)53-35-33-46(41-18-7-4-8-19-41)56-55(53)48-24-11-14-27-54(48)59-56/h3-37H,1-2H3
InChIKeyNNSCUSKPKOLULY-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-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839767
N-(3-dibenzofuran-1-ylphenyl)-2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 168839701
4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069333
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606
N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069590
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
N-(9,9-dimethylfluoren-2-yl)-5-(2-phenylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-(9,9-dimethylfluoren-2-yl)-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;5-(2-phenylphenyl)-N-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 158540927
4-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069277
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N,6-diphenylfluoren-3-amine
CID 176583446

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 177069498) is N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is CC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3cccc(-c4ccc(-c5ccccc5)cc4)c3)c3ccc(-c4ccccc4)c4oc5ccccc5c34)ccc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is NNSCUSKPKOLULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-57(2)50-25-12-9-23-47(50)49-37-43(32-34-51(49)57)45-22-10-13-26-52(45)58(44-21-15-20-42(36-44)40-30-28-39(29-31-40)38-16-5-3-6-17-38)53-35-33-46(41-18-7-4-8-19-41)56-55(53)48-24-11-14-27-54(48)59-56/h3-37H,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[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-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 177069498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).