N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine

C47H39NO — CID 177121496

IUPACN-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C47H39NO/c1-46(2,3)33-22-17-30(18-23-33)31-19-24-34(25-20-31)48(35-26-28-38-37-13-8-9-15-41(37)47(4,5)42(38)29-35)43-16-10-14-39-40-27-21-32-11-6-7-12-36(32)44(40)49-45(39)43/h6-29H,1-5H3
InChIKeyFBVWRGIHEHJHDA-UHFFFAOYSA-N
MW633.84 g/mol
LogP13.48
Rot. Bonds4

About N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine

N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 177121496) has the molecular formula C47H39NO and a molecular weight of 633.84 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID177121496
Molecular FormulaC47H39NO
Molecular Weight633.84 g/mol
Exact Mass633.30
IUPAC NameN-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C47H39NO/c1-46(2,3)33-22-17-30(18-23-33)31-19-24-34(25-20-31)48(35-26-28-38-37-13-8-9-15-41(37)47(4,5)42(38)29-35)43-16-10-14-39-40-27-21-32-11-6-7-12-36(32)44(40)49-45(39)43/h6-29H,1-5H3
InChIKeyFBVWRGIHEHJHDA-UHFFFAOYSA-N
XLogP13.48
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.84
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 174314035
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-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028626
N-(9,9-dimethylfluoren-2-yl)-N,6-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844440
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)dibenzofuran-1-amine
CID 177121656
12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine
CID 134392980
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177121634

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine (CID 177121496) is N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3oc3c5ccccc5ccc43)cc2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is FBVWRGIHEHJHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39NO/c1-46(2,3)33-22-17-30(18-23-33)31-19-24-34(25-20-31)48(35-26-28-38-37-13-8-9-15-41(37)47(4,5)42(38)29-35)43-16-10-14-39-40-27-21-32-11-6-7-12-36(32)44(40)49-45(39)43/h6-29H,1-5H3.
What are the key properties of N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine?
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 633.84 g/mol, XLogP of 13.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 177121496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).