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

C50H39NO — CID 122487904

IUPACN-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4cccc(-c5cc6ccccc6o5)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc21
InChIInChI=1S/C50H39NO/c1-49(2)44-18-9-7-16-40(44)42-29-33(22-27-45(42)49)32-20-23-36(24-21-32)51(37-14-11-13-34(28-37)48-30-35-12-5-10-19-47(35)52-48)38-25-26-41-39-15-6-8-17-43(39)50(3,4)46(41)31-38/h5-31H,1-4H3
InChIKeyXCVQJCQORYFEFO-UHFFFAOYSA-N
MW669.87 g/mol
LogP13.85
Rot. Bonds5

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

N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 122487904) has the molecular formula C50H39NO and a molecular weight of 669.87 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID122487904
Molecular FormulaC50H39NO
Molecular Weight669.87 g/mol
Exact Mass669.30
IUPAC NameN-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4cccc(-c5cc6ccccc6o5)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc21
InChIInChI=1S/C50H39NO/c1-49(2)44-18-9-7-16-40(44)42-29-33(22-27-45(42)49)32-20-23-36(24-21-32)51(37-14-11-13-34(28-37)48-30-35-12-5-10-19-47(35)52-48)38-25-26-41-39-15-6-8-17-43(39)50(3,4)46(41)31-38/h5-31H,1-4H3
InChIKeyXCVQJCQORYFEFO-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.87
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 154972891
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-[4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-3-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170399541
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869
N-[7-(1-benzofuran-2-yl)-9,9-dimethylfluoren-2-yl]-N-phenylspiro[fluorene-9,9'-thioxanthene]-3-amine
CID 155061866
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606
N-(4-dibenzofuran-1-ylphenyl)-3-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)aniline
CID 168840183
N-(3-dibenzofuran-1-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168840030

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine (CID 122487904) is N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4cccc(-c5cc6ccccc6o5)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc21.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is XCVQJCQORYFEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39NO/c1-49(2)44-18-9-7-16-40(44)42-29-33(22-27-45(42)49)32-20-23-36(24-21-32)51(37-14-11-13-34(28-37)48-30-35-12-5-10-19-47(35)52-48)38-25-26-41-39-15-6-8-17-43(39)50(3,4)46(41)31-38/h5-31H,1-4H3.
What are the key properties of N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 669.87 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 122487904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).