N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine

C48H31NOS — CID 171435470

IUPACN-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4c(-c5ccccc5)ccc5c4oc4ccccc45)c4cccc5c4sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C48H31NOS/c1-3-13-32(14-4-1)35-17-11-18-36(31-35)33-25-27-37(28-26-33)49(43-22-12-21-42-40-20-8-10-24-45(40)51-48(42)43)46-38(34-15-5-2-6-16-34)29-30-41-39-19-7-9-23-44(39)50-47(41)46/h1-31H
InChIKeyJSNDVWLRYKUGNI-UHFFFAOYSA-N
MW669.85 g/mol
LogP14.42
Rot. Bonds6

About N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine

N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 171435470) has the molecular formula C48H31NOS and a molecular weight of 669.85 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID171435470
Molecular FormulaC48H31NOS
Molecular Weight669.85 g/mol
Exact Mass669.21
IUPAC NameN-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(-c3ccc(N(c4c(-c5ccccc5)ccc5c4oc4ccccc45)c4cccc5c4sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C48H31NOS/c1-3-13-32(14-4-1)35-17-11-18-36(31-35)33-25-27-37(28-26-33)49(43-22-12-21-42-40-20-8-10-24-45(40)51-48(42)43)46-38(34-15-5-2-6-16-34)29-30-41-39-19-7-9-23-44(39)50-47(41)46/h1-31H
InChIKeyJSNDVWLRYKUGNI-UHFFFAOYSA-N
XLogP14.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.85
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-3-ylphenyl)-3-phenyl-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 171434720
3-phenyl-N-[4-(6-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171434586
N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675705
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435294
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435266
N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 140919317
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 164974665
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164972461
N-[3-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 177084663
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 168804932

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine (CID 171435470) is N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine is c1ccc(-c2cccc(-c3ccc(N(c4c(-c5ccccc5)ccc5c4oc4ccccc45)c4cccc5c4sc4ccccc45)cc3)c2)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is JSNDVWLRYKUGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NOS/c1-3-13-32(14-4-1)35-17-11-18-36(31-35)33-25-27-37(28-26-33)49(43-22-12-21-42-40-20-8-10-24-45(40)51-48(42)43)46-38(34-15-5-2-6-16-34)29-30-41-39-19-7-9-23-44(39)50-47(41)46/h1-31H.
What are the key properties of N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine?
N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 669.85 g/mol, XLogP of 14.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 171435470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).