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

C54H41NO — CID 170722738

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(C)C)cc3)c3cc(-c4ccccc4)cc4oc5ccccc5c34)cc21
InChIInChI=1S/C54H41NO/c1-53(2)45-22-12-9-18-42(45)51-39(20-14-23-46(51)53)35-25-27-37(28-26-35)55(38-29-30-41-40-17-8-11-21-44(40)54(3,4)47(41)33-38)48-31-36(34-15-6-5-7-16-34)32-50-52(48)43-19-10-13-24-49(43)56-50/h5-33H,1-4H3
InChIKeyYJSVJUNDDMEGMH-UHFFFAOYSA-N
MW719.93 g/mol
LogP15.00
Rot. Bonds5

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

N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine (PubChem CID 170722738) has the molecular formula C54H41NO and a molecular weight of 719.93 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine
PubChem CID170722738
Molecular FormulaC54H41NO
Molecular Weight719.93 g/mol
Exact Mass719.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(C)C)cc3)c3cc(-c4ccccc4)cc4oc5ccccc5c34)cc21
InChIInChI=1S/C54H41NO/c1-53(2)45-22-12-9-18-42(45)51-39(20-14-23-46(51)53)35-25-27-37(28-26-35)55(38-29-30-41-40-17-8-11-21-44(40)54(3,4)47(41)33-38)48-31-36(34-15-6-5-7-16-34)32-50-52(48)43-19-10-13-24-49(43)56-50/h5-33H,1-4H3
InChIKeyYJSVJUNDDMEGMH-UHFFFAOYSA-N
XLogP15.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.93
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177095674
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-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 118146115
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[2-[1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138481428
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-11-amine
CID 171402140
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)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281306
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-9-amine
CID 171401843
5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167484522

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine (CID 170722738) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4-c4ccccc4C5(C)C)cc3)c3cc(-c4ccccc4)cc4oc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine?
The InChIKey is YJSVJUNDDMEGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41NO/c1-53(2)45-22-12-9-18-42(45)51-39(20-14-23-46(51)53)35-25-27-37(28-26-35)55(38-29-30-41-40-17-8-11-21-44(40)54(3,4)47(41)33-38)48-31-36(34-15-6-5-7-16-34)32-50-52(48)43-19-10-13-24-49(43)56-50/h5-33H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine has a molecular weight of 719.93 g/mol, XLogP of 15.00, 5 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-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyldibenzofuran-1-amine is sourced from PubChem (CID 170722738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).