N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine

C47H33NO — CID 177121634

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4c6ccccc6ccc54)cc3)c21
InChIInChI=1S/C47H33NO/c1-47(2)41-21-8-7-17-37(41)38-19-10-18-35(44(38)47)32-24-27-33(28-25-32)48(42-22-9-14-30-12-3-5-15-34(30)42)43-23-11-20-39-40-29-26-31-13-4-6-16-36(31)45(40)49-46(39)43/h3-29H,1-2H3
InChIKeyWJRIMPIFZRDLRT-UHFFFAOYSA-N
MW627.79 g/mol
LogP13.34
Rot. Bonds4

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 177121634) has the molecular formula C47H33NO and a molecular weight of 627.79 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
PubChem CID177121634
Molecular FormulaC47H33NO
Molecular Weight627.79 g/mol
Exact Mass627.26
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4c6ccccc6ccc54)cc3)c21
InChIInChI=1S/C47H33NO/c1-47(2)41-21-8-7-17-37(41)38-19-10-18-35(44(38)47)32-24-27-33(28-25-32)48(42-22-9-14-30-12-3-5-15-34(30)42)43-23-11-20-39-40-29-26-31-13-4-6-16-36(31)45(40)49-46(39)43/h3-29H,1-2H3
InChIKeyWJRIMPIFZRDLRT-UHFFFAOYSA-N
XLogP13.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine with MolForge

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Related Compounds

12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine
CID 134392980
N-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-4-amine
CID 166938750
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122090
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 166938756
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121830
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330344
9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-1-amine
CID 166938674
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121496
4-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121544
9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
CID 177121567

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine (CID 177121634) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4cccc5ccccc45)c4cccc5c4oc4c6ccccc6ccc54)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is WJRIMPIFZRDLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO/c1-47(2)41-21-8-7-17-37(41)38-19-10-18-35(44(38)47)32-24-27-33(28-25-32)48(42-22-9-14-30-12-3-5-15-34(30)42)43-23-11-20-39-40-29-26-31-13-4-6-16-36(31)45(40)49-46(39)43/h3-29H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 627.79 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 177121634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).