N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C46H27NO2S — CID 171737320

IUPACN-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc2c(c1)ccc1c2oc2cccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4oc5ccccc5c34)c21
InChIInChI=1S/C46H27NO2S/c1-2-11-31-28(10-1)24-27-36-44-38(17-9-20-41(44)49-45(31)36)47(37-16-8-19-40-43(37)35-13-3-5-18-39(35)48-40)30-25-22-29(23-26-30)32-14-7-15-34-33-12-4-6-21-42(33)50-46(32)34/h1-27H
InChIKeySKAQAGAVINBVDV-UHFFFAOYSA-N
MW657.79 g/mol
LogP14.14
Rot. Bonds4

About N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171737320) has the molecular formula C46H27NO2S and a molecular weight of 657.79 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171737320
Molecular FormulaC46H27NO2S
Molecular Weight657.79 g/mol
Exact Mass657.18
IUPAC NameN-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc2c(c1)ccc1c2oc2cccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4oc5ccccc5c34)c21
InChIInChI=1S/C46H27NO2S/c1-2-11-31-28(10-1)24-27-36-44-38(17-9-20-41(44)49-45(31)36)47(37-16-8-19-40-43(37)35-13-3-5-18-39(35)48-40)30-25-22-29(23-26-30)32-14-7-15-34-33-12-4-6-21-42(33)50-46(32)34/h1-27H
InChIKeySKAQAGAVINBVDV-UHFFFAOYSA-N
XLogP14.14
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.79
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738749
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737260
N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 166939738
N-(4-dibenzothiophen-4-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167329482
N-dibenzothiophen-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738816
N-[4-(9-oxa-20-thiapentacyclo[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-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 164996776
N-(4-dibenzothiophen-4-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 167397298
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155187031
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166938730
N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739542
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine
CID 167330799
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 163779199

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171737320) is N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc2c(c1)ccc1c2oc2cccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4oc5ccccc5c34)c21.
What is the InChIKey of N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is SKAQAGAVINBVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO2S/c1-2-11-31-28(10-1)24-27-36-44-38(17-9-20-41(44)49-45(31)36)47(37-16-8-19-40-43(37)35-13-3-5-18-39(35)48-40)30-25-22-29(23-26-30)32-14-7-15-34-33-12-4-6-21-42(33)50-46(32)34/h1-27H.
What are the key properties of N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 657.79 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171737320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).