N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine

C52H29NO2S2 — CID 170929822

IUPACN-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine
SMILESc1ccc2cc(N(c3ccc(-c4cc5c6ccccc6sc5c5c4oc4ccccc45)cc3)c3cc4oc5ccccc5c4c4sc5ccccc5c34)ccc2c1
InChIInChI=1S/C52H29NO2S2/c1-2-12-32-27-34(26-21-30(32)11-1)53(41-29-44-48(36-14-3-7-17-42(36)54-44)52-47(41)38-16-6-10-20-46(38)57-52)33-24-22-31(23-25-33)39-28-40-35-13-5-9-19-45(35)56-51(40)49-37-15-4-8-18-43(37)55-50(39)49/h1-29H
InChIKeyVNOLNASFOPXWLF-UHFFFAOYSA-N
MW763.94 g/mol
LogP16.51
Rot. Bonds4

About N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine

N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine (PubChem CID 170929822) has the molecular formula C52H29NO2S2 and a molecular weight of 763.94 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine
PubChem CID170929822
Molecular FormulaC52H29NO2S2
Molecular Weight763.94 g/mol
Exact Mass763.16
IUPAC NameN-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine
SMILESc1ccc2cc(N(c3ccc(-c4cc5c6ccccc6sc5c5c4oc4ccccc45)cc3)c3cc4oc5ccccc5c4c4sc5ccccc5c34)ccc2c1
InChIInChI=1S/C52H29NO2S2/c1-2-12-32-27-34(26-21-30(32)11-1)53(41-29-44-48(36-14-3-7-17-42(36)54-44)52-47(41)38-16-6-10-20-46(38)57-52)33-24-22-31(23-25-33)39-28-40-35-13-5-9-19-45(35)56-51(40)49-37-15-4-8-18-43(37)55-50(39)49/h1-29H
InChIKeyVNOLNASFOPXWLF-UHFFFAOYSA-N
XLogP16.51
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 516.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-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-12-amine
CID 158009046
N-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)-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-12-amine
CID 158952368
N-dibenzofuran-1-yl-N-naphthalen-2-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 167132525
N,N-bis(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 161198393
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-3-phenyldibenzothiophen-4-amine
CID 171435403
N-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-N-(4-phenylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 170929891
N-[4-[4-(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-12-yl)phenyl]phenyl]-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine
CID 158070951
N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 167132636
N-(2,4-diphenylphenyl)-N-phenyl-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine
CID 160840635
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 171435473
N-(4-dibenzofuran-1-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176821261
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yl-1-(4-phenyldibenzothiophen-1-yl)dibenzofuran-4-amine
CID 176820484

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine?
The IUPAC name of N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine (CID 170929822) is N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine is c1ccc2cc(N(c3ccc(-c4cc5c6ccccc6sc5c5c4oc4ccccc45)cc3)c3cc4oc5ccccc5c4c4sc5ccccc5c34)ccc2c1.
What is the InChIKey of N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine?
The InChIKey is VNOLNASFOPXWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29NO2S2/c1-2-12-32-27-34(26-21-30(32)11-1)53(41-29-44-48(36-14-3-7-17-42(36)54-44)52-47(41)38-16-6-10-20-46(38)57-52)33-24-22-31(23-25-33)39-28-40-35-13-5-9-19-45(35)56-51(40)49-37-15-4-8-18-43(37)55-50(39)49/h1-29H.
What are the key properties of N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine?
N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine has a molecular weight of 763.94 g/mol, XLogP of 16.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-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-12-amine is sourced from PubChem (CID 170929822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).