9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine

C47H33NO — CID 177121567

IUPAC9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4cccc5c4oc4c6ccccc6ccc54)c3)c3cccc4ccccc34)ccc21
InChIInChI=1S/C47H33NO/c1-47(2)42-22-8-7-19-38(42)41-29-34(25-27-43(41)47)48(44-23-10-14-30-12-3-5-17-35(30)44)33-16-9-15-32(28-33)37-20-11-21-39-40-26-24-31-13-4-6-18-36(31)45(40)49-46(37)39/h3-29H,1-2H3
InChIKeyQAJGCEBHMLJYNV-UHFFFAOYSA-N
MW627.79 g/mol
LogP13.34
Rot. Bonds4

About 9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine

9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine (PubChem CID 177121567) 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-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
PubChem CID177121567
Molecular FormulaC47H33NO
Molecular Weight627.79 g/mol
Exact Mass627.26
IUPAC Name9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4cccc5c4oc4c6ccccc6ccc54)c3)c3cccc4ccccc34)ccc21
InChIInChI=1S/C47H33NO/c1-47(2)42-22-8-7-19-38(42)41-29-34(25-27-43(41)47)48(44-23-10-14-30-12-3-5-17-35(30)44)33-16-9-15-32(28-33)37-20-11-21-39-40-26-24-31-13-4-6-18-36(31)45(40)49-46(37)39/h3-29H,1-2H3
InChIKeyQAJGCEBHMLJYNV-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-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine with MolForge

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Related Compounds

N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121830
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]fluoren-3-amine
CID 139568121
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121520
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
2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121467
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
CID 168839767
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177121634
N-(3-dibenzofuran-4-ylphenyl)-10,10-dimethyl-N-phenylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
CID 168740105
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzofuran-1-amine
CID 177121656

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine (CID 177121567) is 9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4cccc5c4oc4c6ccccc6ccc54)c3)c3cccc4ccccc34)ccc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine?
The InChIKey is QAJGCEBHMLJYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO/c1-47(2)42-22-8-7-19-38(42)41-29-34(25-27-43(41)47)48(44-23-10-14-30-12-3-5-17-35(30)44)33-16-9-15-32(28-33)37-20-11-21-39-40-26-24-31-13-4-6-18-36(31)45(40)49-46(37)39/h3-29H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine?
9,9-dimethyl-N-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-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-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-3-amine is sourced from PubChem (CID 177121567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).