N-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine

C48H39NOSi — CID 140853419

IUPACN-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine
SMILESCc1cc(-c2ccc(N(c3ccc([Si](C)(C)C)cc3)c3ccc4cc(-c5ccccc5)ccc4c3)cc2)c2c(c1)oc1cc3ccccc3cc12
InChIInChI=1S/C48H39NOSi/c1-32-26-44(48-45-30-35-12-8-9-13-36(35)31-46(45)50-47(48)27-32)34-16-19-40(20-17-34)49(41-22-24-43(25-23-41)51(2,3)4)42-21-18-38-28-37(14-15-39(38)29-42)33-10-6-5-7-11-33/h5-31H,1-4H3
InChIKeyJUXGFJISZYEZJR-UHFFFAOYSA-N
MW673.93 g/mol
LogP13.55
Rot. Bonds6

About N-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine

N-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine (PubChem CID 140853419) has the molecular formula C48H39NOSi and a molecular weight of 673.93 g/mol. Its IUPAC name is N-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine
PubChem CID140853419
Molecular FormulaC48H39NOSi
Molecular Weight673.93 g/mol
Exact Mass673.28
IUPAC NameN-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine
SMILESCc1cc(-c2ccc(N(c3ccc([Si](C)(C)C)cc3)c3ccc4cc(-c5ccccc5)ccc4c3)cc2)c2c(c1)oc1cc3ccccc3cc12
InChIInChI=1S/C48H39NOSi/c1-32-26-44(48-45-30-35-12-8-9-13-36(35)31-46(45)50-47(48)27-32)34-16-19-40(20-17-34)49(41-22-24-43(25-23-41)51(2,3)4)42-21-18-38-28-37(14-15-39(38)29-42)33-10-6-5-7-11-33/h5-31H,1-4H3
InChIKeyJUXGFJISZYEZJR-UHFFFAOYSA-N
XLogP13.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.93
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 167144570
9-N,9-N-bis(4-methylphenyl)-23-N,23-N-bis(4-trimethylsilylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 160724691
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 171754207
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
CID 165040481
N-[4-(3-methyldibenzofuran-1-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 176757216
2,4-diphenyl-6-[1-(6-phenylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
CID 171757130
2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
CID 171757250
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
N-(4-naphthalen-2-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenylphenyl)aniline
CID 174271399
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-[4-(2,6-diphenylphenyl)phenyl]-7,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 177128398
8-N,8-N,23-N,23-N-tetrakis(2,4-diphenylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155360181

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine (CID 140853419) is N-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine is Cc1cc(-c2ccc(N(c3ccc([Si](C)(C)C)cc3)c3ccc4cc(-c5ccccc5)ccc4c3)cc2)c2c(c1)oc1cc3ccccc3cc12.
What is the InChIKey of N-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine?
The InChIKey is JUXGFJISZYEZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39NOSi/c1-32-26-44(48-45-30-35-12-8-9-13-36(35)31-46(45)50-47(48)27-32)34-16-19-40(20-17-34)49(41-22-24-43(25-23-41)51(2,3)4)42-21-18-38-28-37(14-15-39(38)29-42)33-10-6-5-7-11-33/h5-31H,1-4H3.
What are the key properties of N-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine?
N-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine has a molecular weight of 673.93 g/mol, XLogP of 13.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]-6-phenyl-N-(4-trimethylsilylphenyl)naphthalen-2-amine is sourced from PubChem (CID 140853419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).