4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine

C70H42N2O2S2 — CID 164934378

IUPAC4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(-c4cccc5sc6ccc(N(c7ccc8ccccc8c7)c7ccc(-c8ccc9oc%10ccccc%10c9c8)c8oc9ccccc9c78)cc6c45)ccc23)cc1
InChIInChI=1S/C70H42N2O2S2/c1-3-16-47(17-4-1)71(48-18-5-2-6-19-48)51-30-33-56-55-32-27-46(40-66(55)76-67(56)42-51)52-22-13-25-65-68(52)59-41-50(31-37-64(59)75-65)72(49-29-26-43-14-7-8-15-44(43)38-49)60-35-34-53(70-69(60)57-21-10-12-24-62(57)74-70)45-28-36-63-58(39-45)54-20-9-11-23-61(54)73-63/h1-42H
InChIKeyIHAGYYBFLAUWKU-UHFFFAOYSA-N
MW1007.25 g/mol
LogP21.65
Rot. Bonds8

About 4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine

4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine (PubChem CID 164934378) has the molecular formula C70H42N2O2S2 and a molecular weight of 1007.25 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine
PubChem CID164934378
Molecular FormulaC70H42N2O2S2
Molecular Weight1007.25 g/mol
Exact Mass1006.27
IUPAC Name4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(-c4cccc5sc6ccc(N(c7ccc8ccccc8c7)c7ccc(-c8ccc9oc%10ccccc%10c9c8)c8oc9ccccc9c78)cc6c45)ccc23)cc1
InChIInChI=1S/C70H42N2O2S2/c1-3-16-47(17-4-1)71(48-18-5-2-6-19-48)51-30-33-56-55-32-27-46(40-66(55)76-67(56)42-51)52-22-13-25-65-68(52)59-41-50(31-37-64(59)75-65)72(49-29-26-43-14-7-8-15-44(43)38-49)60-35-34-53(70-69(60)57-21-10-12-24-62(57)74-70)45-28-36-63-58(39-45)54-20-9-11-23-61(54)73-63/h1-42H
InChIKeyIHAGYYBFLAUWKU-UHFFFAOYSA-N
XLogP21.65
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001007.25
LogP ≤ 521.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N-phenanthren-3-yl-4-phenyldibenzofuran-1-amine
CID 176820910
N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
CID 168804753
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 170676864
N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508758
8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244486
2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325907
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820649
7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine
CID 155172930
N-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 176821102
N-dibenzothiophen-2-yl-4-naphthalen-1-yl-N-phenanthren-2-yldibenzofuran-1-amine
CID 176820541
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-yldibenzofuran-3-amine
CID 163485828
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435491

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine?
The IUPAC name of 4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine (CID 164934378) is 4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine.
What is the SMILES notation for 4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine?
The canonical SMILES for 4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2cc(-c4cccc5sc6ccc(N(c7ccc8ccccc8c7)c7ccc(-c8ccc9oc%10ccccc%10c9c8)c8oc9ccccc9c78)cc6c45)ccc23)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine?
The InChIKey is IHAGYYBFLAUWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N2O2S2/c1-3-16-47(17-4-1)71(48-18-5-2-6-19-48)51-30-33-56-55-32-27-46(40-66(55)76-67(56)42-51)52-22-13-25-65-68(52)59-41-50(31-37-64(59)75-65)72(49-29-26-43-14-7-8-15-44(43)38-49)60-35-34-53(70-69(60)57-21-10-12-24-62(57)74-70)45-28-36-63-58(39-45)54-20-9-11-23-61(54)73-63/h1-42H.
What are the key properties of 4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine?
4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine has a molecular weight of 1007.25 g/mol, XLogP of 21.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-N-naphthalen-2-yl-N-[9-[7-(N-phenylanilino)dibenzothiophen-3-yl]dibenzothiophen-2-yl]dibenzofuran-1-amine is sourced from PubChem (CID 164934378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).