6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine

C61H41NO — CID 169295994

IUPAC6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc34)cc21
InChIInChI=1S/C61H41NO/c1-61(2)56-23-13-12-22-51(56)52-31-26-41(35-57(52)61)59-45-17-7-6-16-40(45)34-55-54-37-44(30-33-58(54)63-60(55)59)62(42-27-24-39(25-28-42)38-14-4-3-5-15-38)43-29-32-50-48-20-9-8-18-46(48)47-19-10-11-21-49(47)53(50)36-43/h3-37H,1-2H3
InChIKeyAFQBDRFZPHVVRW-UHFFFAOYSA-N
MW804.01 g/mol
LogP17.31
Rot. Bonds5

About 6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine

6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 169295994) has the molecular formula C61H41NO and a molecular weight of 804.01 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
PubChem CID169295994
Molecular FormulaC61H41NO
Molecular Weight804.01 g/mol
Exact Mass803.32
IUPAC Name6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc34)cc21
InChIInChI=1S/C61H41NO/c1-61(2)56-23-13-12-22-51(56)52-31-26-41(35-57(52)61)59-45-17-7-6-16-40(45)34-55-54-37-44(30-33-58(54)63-60(55)59)62(42-27-24-39(25-28-42)38-14-4-3-5-15-38)43-29-32-50-48-20-9-8-18-46(48)47-19-10-11-21-49(47)53(50)36-43/h3-37H,1-2H3
InChIKeyAFQBDRFZPHVVRW-UHFFFAOYSA-N
XLogP17.31
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295304
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296132
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295150
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-(4-triphenylen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295211
N,N-bis(9,9-dimethylfluoren-2-yl)-6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295634
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296235
N,N-diphenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295558

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine (CID 169295994) is 6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4cc4c3oc3ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c7ccccc7c7ccccc7c6c5)cc34)cc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is AFQBDRFZPHVVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO/c1-61(2)56-23-13-12-22-51(56)52-31-26-41(35-57(52)61)59-45-17-7-6-16-40(45)34-55-54-37-44(30-33-58(54)63-60(55)59)62(42-27-24-39(25-28-42)38-14-4-3-5-15-38)43-29-32-50-48-20-9-8-18-46(48)47-19-10-11-21-49(47)53(50)36-43/h3-37H,1-2H3.
What are the key properties of 6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine?
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine has a molecular weight of 804.01 g/mol, XLogP of 17.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 169295994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).