7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine

C70H38N2O3S3 — CID 164799654

IUPAC7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
SMILESc1ccc2c(c1)oc1c(N(c3ccc4c(c3)oc3cc5cc6oc7cc(N(c8cccc9c8sc8ccccc89)c8cccc9c8sc8ccccc89)ccc7c6cc5cc34)c3cccc4c3sc3ccccc34)cccc12
InChIInChI=1S/C70H38N2O3S3/c1-5-25-59-43(13-1)49-17-9-21-55(67(49)75-59)71(56-22-10-18-50-46-14-2-6-26-64(46)76-68(50)56)41-29-31-44-53-33-39-34-54-45-32-30-42(38-63(45)74-61(54)36-40(39)35-60(53)73-62(44)37-41)72(57-23-11-19-51-47-15-3-7-27-65(47)77-69(51)57)58-24-12-20-52-48-16-4-8-28-66(48)78-70(52)58/h1-38H
InChIKeyNZFFDPZDBDZXSA-UHFFFAOYSA-N
MW1051.29 g/mol
LogP22.58
Rot. Bonds6

About 7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine

7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine (PubChem CID 164799654) has the molecular formula C70H38N2O3S3 and a molecular weight of 1051.29 g/mol. Its IUPAC name is 7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine.

Molecular Properties

Compound Name7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
PubChem CID164799654
Molecular FormulaC70H38N2O3S3
Molecular Weight1051.29 g/mol
Exact Mass1050.20
IUPAC Name7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
SMILESc1ccc2c(c1)oc1c(N(c3ccc4c(c3)oc3cc5cc6oc7cc(N(c8cccc9c8sc8ccccc89)c8cccc9c8sc8ccccc89)ccc7c6cc5cc34)c3cccc4c3sc3ccccc34)cccc12
InChIInChI=1S/C70H38N2O3S3/c1-5-25-59-43(13-1)49-17-9-21-55(67(49)75-59)71(56-22-10-18-50-46-14-2-6-26-64(46)76-68(50)56)41-29-31-44-53-33-39-34-54-45-32-30-42(38-63(45)74-61(54)36-40(39)35-60(53)73-62(44)37-41)72(57-23-11-19-51-47-15-3-7-27-65(47)77-69(51)57)58-24-12-20-52-48-16-4-8-28-66(48)78-70(52)58/h1-38H
InChIKeyNZFFDPZDBDZXSA-UHFFFAOYSA-N
XLogP22.58
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.29
LogP ≤ 522.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine with MolForge

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Related Compounds

N-dibenzofuran-4-yl-N-dibenzothiophen-4-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N,N-di(dibenzofuran-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N,N-di(dibenzofuran-4-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164997940
N-dibenzofuran-4-yl-N-dibenzothiophen-4-yl-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-amine
CID 165004836
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-amine
CID 146494386
N-dibenzofuran-3-yl-N-tetraphenylen-2-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-tetraphenylen-2-yldibenzothiophen-3-amine;N-dibenzothiophen-4-yl-N-tetraphenylen-2-yldibenzothiophen-4-amine
CID 162022790
N-dibenzofuran-1-yl-N-[4-(20-oxa-9-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]dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-[4-(20-oxa-9-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]dibenzofuran-3-amine;N-dibenzofuran-4-yl-N-[4-(20-oxa-9-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]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-(20-oxa-9-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]dibenzofuran-4-amine
CID 164954908
N-dibenzofuran-4-yl-N-dibenzothiophen-4-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-dibenzothiophen-1-yl-N-(4-phenylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N,N-di(dibenzofuran-3-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N,N-di(dibenzofuran-4-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 165089555
N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
N-dibenzothiophen-4-yl-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 166566035
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-dibenzothiophen-4-yl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-4-yl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-4-yl-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine
CID 160979130

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The IUPAC name of 7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine (CID 164799654) is 7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine.
What is the SMILES notation for 7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The canonical SMILES for 7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine is c1ccc2c(c1)oc1c(N(c3ccc4c(c3)oc3cc5cc6oc7cc(N(c8cccc9c8sc8ccccc89)c8cccc9c8sc8ccccc89)ccc7c6cc5cc34)c3cccc4c3sc3ccccc34)cccc12.
What is the InChIKey of 7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The InChIKey is NZFFDPZDBDZXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H38N2O3S3/c1-5-25-59-43(13-1)49-17-9-21-55(67(49)75-59)71(56-22-10-18-50-46-14-2-6-26-64(46)76-68(50)56)41-29-31-44-53-33-39-34-54-45-32-30-42(38-63(45)74-61(54)36-40(39)35-60(53)73-62(44)37-41)72(57-23-11-19-51-47-15-3-7-27-65(47)77-69(51)57)58-24-12-20-52-48-16-4-8-28-66(48)78-70(52)58/h1-38H.
What are the key properties of 7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine has a molecular weight of 1051.29 g/mol, XLogP of 22.58, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzofuran-4-yl-7-N,19-N,19-N-tri(dibenzothiophen-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine is sourced from PubChem (CID 164799654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).