N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine

C56H45NO — CID 168839898

IUPACN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine
SMILESCc1cc(C)c2c(c1)C(C)(C)c1ccc(-c3cccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc1-2
InChIInChI=1S/C56H45NO/c1-34-29-35(2)53-47-32-38(23-28-49(47)56(5,6)51(53)30-34)37-13-11-14-40(31-37)57(41-26-27-44-43-15-7-9-19-48(43)55(3,4)50(44)33-41)39-24-21-36(22-25-39)42-17-12-18-46-45-16-8-10-20-52(45)58-54(42)46/h7-33H,1-6H3
InChIKeyURYIAURVIJUAQQ-UHFFFAOYSA-N
MW747.98 g/mol
LogP15.62
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine (PubChem CID 168839898) has the molecular formula C56H45NO and a molecular weight of 747.98 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine
PubChem CID168839898
Molecular FormulaC56H45NO
Molecular Weight747.98 g/mol
Exact Mass747.35
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine
SMILESCc1cc(C)c2c(c1)C(C)(C)c1ccc(-c3cccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc1-2
InChIInChI=1S/C56H45NO/c1-34-29-35(2)53-47-32-38(23-28-49(47)56(5,6)51(53)30-34)37-13-11-14-40(31-37)57(41-26-27-44-43-15-7-9-19-48(43)55(3,4)50(44)33-41)39-24-21-36(22-25-39)42-17-12-18-46-45-16-8-10-20-52(45)58-54(42)46/h7-33H,1-6H3
InChIKeyURYIAURVIJUAQQ-UHFFFAOYSA-N
XLogP15.62
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.98
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-dibenzofuran-1-ylphenyl)-3-(5,7,9,9-tetramethylfluoren-3-yl)aniline
CID 168840036
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-[3-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139554045
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839605
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158851525
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-dimethyl-7-phenylfluoren-3-yl)aniline
CID 168839587
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839960

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine (CID 168839898) is N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine is Cc1cc(C)c2c(c1)C(C)(C)c1ccc(-c3cccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc1-2.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine?
The InChIKey is URYIAURVIJUAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45NO/c1-34-29-35(2)53-47-32-38(23-28-49(47)56(5,6)51(53)30-34)37-13-11-14-40(31-37)57(41-26-27-44-43-15-7-9-19-48(43)55(3,4)50(44)33-41)39-24-21-36(22-25-39)42-17-12-18-46-45-16-8-10-20-52(45)58-54(42)46/h7-33H,1-6H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine has a molecular weight of 747.98 g/mol, XLogP of 15.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[3-(5,7,9,9-tetramethylfluoren-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 168839898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).