N-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine

C40H23NO2S — CID 177122312

IUPACN-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc2c(c1)ccc1c3cccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5oc6ccccc6c45)c3oc21
InChIInChI=1S/C40H23NO2S/c1-2-10-26-24(9-1)19-21-30-29-13-7-15-33(40(29)43-39(26)30)41(25-20-22-28-27-11-4-6-18-36(27)44-37(28)23-25)32-14-8-17-35-38(32)31-12-3-5-16-34(31)42-35/h1-23H
InChIKeyYIQDSROZWWUZSX-UHFFFAOYSA-N
MW581.70 g/mol
LogP12.48
Rot. Bonds3

About N-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine

N-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 177122312) has the molecular formula C40H23NO2S and a molecular weight of 581.70 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine
PubChem CID177122312
Molecular FormulaC40H23NO2S
Molecular Weight581.70 g/mol
Exact Mass581.14
IUPAC NameN-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc2c(c1)ccc1c3cccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5oc6ccccc6c45)c3oc21
InChIInChI=1S/C40H23NO2S/c1-2-10-26-24(9-1)19-21-30-29-13-7-15-33(40(29)43-39(26)30)41(25-20-22-28-27-11-4-6-18-36(27)44-37(28)23-25)32-14-8-17-35-38(32)31-12-3-5-16-34(31)42-35/h1-23H
InChIKeyYIQDSROZWWUZSX-UHFFFAOYSA-N
XLogP12.48
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.70
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-di(dibenzofuran-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804115
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163686453
N-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737995
N-dibenzothiophen-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737953
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738900
N-dibenzofuran-1-yl-N-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(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-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-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-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-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 164998655
N-dibenzothiophen-3-yl-N-phenanthren-1-yl-4-phenyldibenzofuran-1-amine
CID 176821400
N-dibenzothiophen-3-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738987
N-dibenzofuran-1-yl-N-dibenzofuran-3-yl-9-oxa-20-thiapentacyclo[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(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[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-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[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-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[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 164959601
N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177122272
N-dibenzofuran-2-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804116
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzofuran-1-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
CID 161075532

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine (CID 177122312) is N-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine is c1ccc2c(c1)ccc1c3cccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5oc6ccccc6c45)c3oc21.
What is the InChIKey of N-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is YIQDSROZWWUZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23NO2S/c1-2-10-26-24(9-1)19-21-30-29-13-7-15-33(40(29)43-39(26)30)41(25-20-22-28-27-11-4-6-18-36(27)44-37(28)23-25)32-14-8-17-35-38(32)31-12-3-5-16-34(31)42-35/h1-23H.
What are the key properties of N-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine?
N-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 581.70 g/mol, XLogP of 12.48, 3 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-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 177122312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).