9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine

C43H31NO — CID 164799796

IUPAC9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5c4oc4ccccc45)cc3)ccc21
InChIInChI=1S/C43H31NO/c1-43(2)38-18-10-8-16-34(38)36-27-32(24-25-39(36)43)44(30-13-4-3-5-14-30)31-22-20-28(21-23-31)41-33-15-7-6-12-29(33)26-37-35-17-9-11-19-40(35)45-42(37)41/h3-27H,1-2H3
InChIKeyYRRHVKBPQOSMLS-UHFFFAOYSA-N
MW577.73 g/mol
LogP12.18
Rot. Bonds4

About 9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine

9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine (PubChem CID 164799796) has the molecular formula C43H31NO and a molecular weight of 577.73 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine
PubChem CID164799796
Molecular FormulaC43H31NO
Molecular Weight577.73 g/mol
Exact Mass577.24
IUPAC Name9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5c4oc4ccccc45)cc3)ccc21
InChIInChI=1S/C43H31NO/c1-43(2)38-18-10-8-16-34(38)36-27-32(24-25-39(36)43)44(30-13-4-3-5-14-30)31-22-20-28(21-23-31)41-33-15-7-6-12-29(33)26-37-35-17-9-11-19-40(35)45-42(37)41/h3-27H,1-2H3
InChIKeyYRRHVKBPQOSMLS-UHFFFAOYSA-N
XLogP12.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
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-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazol-10-yl)phenyl]fluoren-3-amine
CID 167128151
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295994
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295552
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
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine (CID 164799796) is 9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5c4oc4ccccc45)cc3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine?
The InChIKey is YRRHVKBPQOSMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NO/c1-43(2)38-18-10-8-16-34(38)36-27-32(24-25-39(36)43)44(30-13-4-3-5-14-30)31-22-20-28(21-23-31)41-33-15-7-6-12-29(33)26-37-35-17-9-11-19-40(35)45-42(37)41/h3-27H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine?
9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine has a molecular weight of 577.73 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine is sourced from PubChem (CID 164799796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).