9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine

C47H33NO — CID 177122090

IUPAC9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4c6ccccc6ccc54)cc3)c3cccc4ccccc34)cccc21
InChIInChI=1S/C47H33NO/c1-47(2)40-20-8-7-17-39(40)44-41(47)21-11-23-43(44)48(42-22-9-14-30-12-3-5-15-34(30)42)33-27-24-32(25-28-33)36-18-10-19-37-38-29-26-31-13-4-6-16-35(31)46(38)49-45(36)37/h3-29H,1-2H3
InChIKeyWATBFZGAWLVQLV-UHFFFAOYSA-N
MW627.79 g/mol
LogP13.34
Rot. Bonds4

About 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine

9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine (PubChem CID 177122090) has the molecular formula C47H33NO and a molecular weight of 627.79 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
PubChem CID177122090
Molecular FormulaC47H33NO
Molecular Weight627.79 g/mol
Exact Mass627.26
IUPAC Name9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4c6ccccc6ccc54)cc3)c3cccc4ccccc34)cccc21
InChIInChI=1S/C47H33NO/c1-47(2)40-20-8-7-17-39(40)44-41(47)21-11-23-43(44)48(42-22-9-14-30-12-3-5-15-34(30)42)33-27-24-32(25-28-33)36-18-10-19-37-38-29-26-31-13-4-6-16-35(31)46(38)49-45(36)37/h3-29H,1-2H3
InChIKeyWATBFZGAWLVQLV-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 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177121861
4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121652
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122137
N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177121720
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177121634
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121766
9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
CID 177121567
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 139355193
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
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170139291
7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine
CID 118405099
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 172544887

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine (CID 177122090) is 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4c6ccccc6ccc54)cc3)c3cccc4ccccc34)cccc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine?
The InChIKey is WATBFZGAWLVQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO/c1-47(2)40-20-8-7-17-39(40)44-41(47)21-11-23-43(44)48(42-22-9-14-30-12-3-5-15-34(30)42)33-27-24-32(25-28-33)36-18-10-19-37-38-29-26-31-13-4-6-16-35(31)46(38)49-45(36)37/h3-29H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine?
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-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 9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 177122090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).