5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C39H23NO — CID 154600894

IUPAC5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc2cc(-c3nc(-c4cccc5ccccc45)cc4c3ccc3oc5ccc6ccccc6c5c34)ccc2c1
InChIInChI=1S/C39H23NO/c1-2-11-27-22-28(17-16-24(27)8-1)39-32-19-21-36-38(37-30-14-6-4-10-26(30)18-20-35(37)41-36)33(32)23-34(40-39)31-15-7-12-25-9-3-5-13-29(25)31/h1-23H
InChIKeyZHYODIXNEPSNFZ-UHFFFAOYSA-N
MW521.62 g/mol
LogP10.93
Rot. Bonds2

About 5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 154600894) has the molecular formula C39H23NO and a molecular weight of 521.62 g/mol. Its IUPAC name is 5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID154600894
Molecular FormulaC39H23NO
Molecular Weight521.62 g/mol
Exact Mass521.18
IUPAC Name5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc2cc(-c3nc(-c4cccc5ccccc45)cc4c3ccc3oc5ccc6ccccc6c5c34)ccc2c1
InChIInChI=1S/C39H23NO/c1-2-11-27-22-28(17-16-24(27)8-1)39-32-19-21-36-38(37-30-14-6-4-10-26(30)18-20-35(37)41-36)33(32)23-34(40-39)31-15-7-12-25-9-3-5-13-29(25)31/h1-23H
InChIKeyZHYODIXNEPSNFZ-UHFFFAOYSA-N
XLogP10.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene with MolForge

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Related Compounds

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CID 176587967
11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 174273057
2,4-dinaphthalen-2-yl-6-(8-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166742708
11-benzo[a]anthracen-2-ylnaphtho[2,1-b][1]benzofuran
CID 177072140
2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-ylbenzo[k]phenanthridine
CID 149449540
7-(3-naphthalen-1-ylphenyl)-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 154600279
5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;7-naphthalen-2-yl-5-[3-(6-phenyldibenzofuran-4-yl)phenyl]-12-thia-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-[4-(7-naphthalen-1-yl-12-thia-4-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-5-yl)phenyl]phenoxazine
CID 158939711
6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 161486127
2-(6-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164737139
4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265087
11-[6-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[2,1-b][1]benzofuran
CID 164831080

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 154600894) is 5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc2cc(-c3nc(-c4cccc5ccccc45)cc4c3ccc3oc5ccc6ccccc6c5c34)ccc2c1.
What is the InChIKey of 5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is ZHYODIXNEPSNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23NO/c1-2-11-27-22-28(17-16-24(27)8-1)39-32-19-21-36-38(37-30-14-6-4-10-26(30)18-20-35(37)41-36)33(32)23-34(40-39)31-15-7-12-25-9-3-5-13-29(25)31/h1-23H.
What are the key properties of 5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 521.62 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-7-naphthalen-2-yl-12-oxa-6-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 154600894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).