N,N-diphenyl-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

C30H19NOS — CID 165094885

IUPACN,N-diphenyl-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
SMILESc1ccc(N(c2ccccc2)c2cccc3c2sc2c3ccc3oc4ccccc4c32)cc1
InChIInChI=1S/C30H19NOS/c1-3-10-20(11-4-1)31(21-12-5-2-6-13-21)25-16-9-15-22-23-18-19-27-28(30(23)33-29(22)25)24-14-7-8-17-26(24)32-27/h1-19H
InChIKeyURHKUYWHCYYMEE-UHFFFAOYSA-N
MW441.56 g/mol
LogP9.42
Rot. Bonds3

About N,N-diphenyl-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-diphenyl-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 (PubChem CID 165094885) has the molecular formula C30H19NOS and a molecular weight of 441.56 g/mol. Its IUPAC name is N,N-diphenyl-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.

Molecular Properties

Compound NameN,N-diphenyl-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
PubChem CID165094885
Molecular FormulaC30H19NOS
Molecular Weight441.56 g/mol
Exact Mass441.12
IUPAC NameN,N-diphenyl-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
SMILESc1ccc(N(c2ccccc2)c2cccc3c2sc2c3ccc3oc4ccccc4c32)cc1
InChIInChI=1S/C30H19NOS/c1-3-10-20(11-4-1)31(21-12-5-2-6-13-21)25-16-9-15-22-23-18-19-27-28(30(23)33-29(22)25)24-14-7-8-17-26(24)32-27/h1-19H
InChIKeyURHKUYWHCYYMEE-UHFFFAOYSA-N
XLogP9.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diphenyl-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 with MolForge

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Related Compounds

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CID 167396723
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397717
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 170031914
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
1-N-dibenzofuran-3-yl-1-N,7-N,7-N-triphenyldibenzofuran-1,7-diamine
CID 146573998
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(19),15,17-nonaen-18-yl)phenyl]-N,9,9-triphenylfluoren-4-amine
CID 164972725
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-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167396586
8-N,22-N-di(dibenzofuran-1-yl)-8-N,22-N-diphenyl-11,15,19-trioxaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
CID 170235172
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 164990906
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine
CID 170032627
7-N-naphtho[1,2-b][1]benzothiol-4-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 170410120

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-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?
The IUPAC name of N,N-diphenyl-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 165094885) is N,N-diphenyl-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.
What is the SMILES notation for N,N-diphenyl-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?
The canonical SMILES for N,N-diphenyl-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 is c1ccc(N(c2ccccc2)c2cccc3c2sc2c3ccc3oc4ccccc4c32)cc1.
What is the InChIKey of N,N-diphenyl-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?
The InChIKey is URHKUYWHCYYMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19NOS/c1-3-10-20(11-4-1)31(21-12-5-2-6-13-21)25-16-9-15-22-23-18-19-27-28(30(23)33-29(22)25)24-14-7-8-17-26(24)32-27/h1-19H.
What are the key properties of N,N-diphenyl-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-diphenyl-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 has a molecular weight of 441.56 g/mol, XLogP of 9.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-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 is sourced from PubChem (CID 165094885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).