N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine

C46H29NOS — CID 167402936

IUPACN-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)cc5)c4oc3c3ccccc23)cc1
InChIInChI=1S/C46H29NOS/c1-3-12-30(13-4-1)41-29-42-40-20-11-19-35(45(40)48-46(42)39-18-8-7-16-36(39)41)31-22-24-33(25-23-31)47(32-14-5-2-6-15-32)34-26-27-38-37-17-9-10-21-43(37)49-44(38)28-34/h1-29H
InChIKeyRNPPGNYVVOSKGE-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

About N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine

N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine (PubChem CID 167402936) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
PubChem CID167402936
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)cc5)c4oc3c3ccccc23)cc1
InChIInChI=1S/C46H29NOS/c1-3-12-30(13-4-1)41-29-42-40-20-11-19-35(45(40)48-46(42)39-18-8-7-16-36(39)41)31-22-24-33(25-23-31)47(32-14-5-2-6-15-32)34-26-27-38-37-17-9-10-21-43(37)49-44(38)28-34/h1-29H
InChIKeyRNPPGNYVVOSKGE-UHFFFAOYSA-N
XLogP13.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.81
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
CID 167144638
4-dibenzothiophen-1-yl-N-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402076
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 170096072
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine
CID 167143711
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-3-amine
CID 168804690
N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805437
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]naphtho[2,3-b][1]benzothiol-1-amine
CID 167403092
4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
CID 167143311
3-N-dibenzothiophen-3-yl-3-N,6-N-diphenyl-6-N-(2-phenylphenyl)dibenzofuran-3,6-diamine
CID 146574174
6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine
CID 174244148
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 165074759

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine (CID 167402936) is N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)sc6ccccc67)cc5)c4oc3c3ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine?
The InChIKey is RNPPGNYVVOSKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-3-12-30(13-4-1)41-29-42-40-20-11-19-35(45(40)48-46(42)39-18-8-7-16-36(39)41)31-22-24-33(25-23-31)47(32-14-5-2-6-15-32)34-26-27-38-37-17-9-10-21-43(37)49-44(38)28-34/h1-29H.
What are the key properties of N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine?
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine has a molecular weight of 643.81 g/mol, XLogP of 13.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 167402936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).