N-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine

C46H39NO — CID 142515801

IUPACN-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine
SMILESCC1=C(C)C(C)(C)c2ccc3c(oc4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5-c5ccccc5C6(C)C)cc43)c21
InChIInChI=1S/C46H39NO/c1-28-29(2)45(3,4)39-25-24-34-36-27-33(23-26-41(36)48-44(34)42(28)39)47(32-21-19-31(20-22-32)30-13-8-7-9-14-30)40-18-12-17-38-43(40)35-15-10-11-16-37(35)46(38,5)6/h7-27H,1-6H3
InChIKeyKXRUDMGAZKWZPT-UHFFFAOYSA-N
MW621.82 g/mol
LogP13.11
Rot. Bonds4

About N-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine

N-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine (PubChem CID 142515801) has the molecular formula C46H39NO and a molecular weight of 621.82 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine
PubChem CID142515801
Molecular FormulaC46H39NO
Molecular Weight621.82 g/mol
Exact Mass621.30
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine
SMILESCC1=C(C)C(C)(C)c2ccc3c(oc4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5-c5ccccc5C6(C)C)cc43)c21
InChIInChI=1S/C46H39NO/c1-28-29(2)45(3,4)39-25-24-34-36-27-33(23-26-41(36)48-44(34)42(28)39)47(32-21-19-31(20-22-32)30-13-8-7-9-14-30)40-18-12-17-38-43(40)35-15-10-11-16-37(35)46(38,5)6/h7-27H,1-6H3
InChIKeyKXRUDMGAZKWZPT-UHFFFAOYSA-N
XLogP13.11
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.82
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-4-amine
CID 142515726
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 161445585
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 164990095
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 118405235
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-4-amine
CID 174279927

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine (CID 142515801) is N-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine is CC1=C(C)C(C)(C)c2ccc3c(oc4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5-c5ccccc5C6(C)C)cc43)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine?
The InChIKey is KXRUDMGAZKWZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39NO/c1-28-29(2)45(3,4)39-25-24-34-36-27-33(23-26-41(36)48-44(34)42(28)39)47(32-21-19-31(20-22-32)30-13-8-7-9-14-30)40-18-12-17-38-43(40)35-15-10-11-16-37(35)46(38,5)6/h7-27H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine?
N-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine has a molecular weight of 621.82 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-1,2,3,3-tetramethyl-N-(4-phenylphenyl)indeno[4,5-b][1]benzofuran-7-amine is sourced from PubChem (CID 142515801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).