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(19),15,17-nonaen-18-amine

C30H17NOS2 — CID 165049088

IUPACN-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(19),15,17-nonaen-18-amine
SMILESc1ccc2c(c1)sc1c(Nc3cccc4c3oc3c4ccc4sc5ccccc5c43)cccc12
InChIInChI=1S/C30H17NOS2/c1-3-13-24-17(7-1)20-10-6-12-23(30(20)34-24)31-22-11-5-9-18-19-15-16-26-27(29(19)32-28(18)22)21-8-2-4-14-25(21)33-26/h1-16,31H
InChIKeyHMGDSSQREOVFIK-UHFFFAOYSA-N
MW471.61 g/mol
LogP10.07
Rot. Bonds2

About 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(19),15,17-nonaen-18-amine

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(19),15,17-nonaen-18-amine (PubChem CID 165049088) has the molecular formula C30H17NOS2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 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(19),15,17-nonaen-18-amine.

Molecular Properties

Compound NameN-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(19),15,17-nonaen-18-amine
PubChem CID165049088
Molecular FormulaC30H17NOS2
Molecular Weight471.61 g/mol
Exact Mass471.08
IUPAC NameN-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(19),15,17-nonaen-18-amine
SMILESc1ccc2c(c1)sc1c(Nc3cccc4c3oc3c4ccc4sc5ccccc5c43)cccc12
InChIInChI=1S/C30H17NOS2/c1-3-13-24-17(7-1)20-10-6-12-23(30(20)34-24)31-22-11-5-9-18-19-15-16-26-27(29(19)32-28(18)22)21-8-2-4-14-25(21)33-26/h1-16,31H
InChIKeyHMGDSSQREOVFIK-UHFFFAOYSA-N
XLogP10.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.61
LogP ≤ 510.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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(19),15,17-nonaen-18-amine with MolForge

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Related Compounds

N-pyren-1-yldibenzothiophen-4-amine
CID 137457081
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(19),15,17-nonaen-18-amine
CID 165024486
N,N-di(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
CID 165005890
9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 13284338
N-phenyldibenzothiophen-1-amine
CID 126538366
9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene;10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 159913663
N-[2-[2-(dibenzothiophen-4-ylamino)phenyl]phenyl]dibenzofuran-2-amine
CID 129082368
N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 177286416
7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine
CID 144687607
N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine
CID 165071492
N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535
10-[4-(20-oxa-9-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-yl)phenyl]phenoxazine
CID 165019867

Frequently Asked Questions

What is the IUPAC name of 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(19),15,17-nonaen-18-amine?
The IUPAC name of 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(19),15,17-nonaen-18-amine (CID 165049088) is 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(19),15,17-nonaen-18-amine.
What is the SMILES notation for 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(19),15,17-nonaen-18-amine?
The canonical SMILES for 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(19),15,17-nonaen-18-amine is c1ccc2c(c1)sc1c(Nc3cccc4c3oc3c4ccc4sc5ccccc5c43)cccc12.
What is the InChIKey of 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(19),15,17-nonaen-18-amine?
The InChIKey is HMGDSSQREOVFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17NOS2/c1-3-13-24-17(7-1)20-10-6-12-23(30(20)34-24)31-22-11-5-9-18-19-15-16-26-27(29(19)32-28(18)22)21-8-2-4-14-25(21)33-26/h1-16,31H.
What are the key properties of 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(19),15,17-nonaen-18-amine?
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(19),15,17-nonaen-18-amine has a molecular weight of 471.61 g/mol, XLogP of 10.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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(19),15,17-nonaen-18-amine is sourced from PubChem (CID 165049088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).