16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene

C37H22N2O — CID 118615345

IUPAC16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene
SMILESC1=CC2=Cc3c(n4c5ccc(-c6cccc7ccccc67)cc5c5c6c(cc3c54)oc3ccccc36)NC2C=C1
InChIInChI=1S/C37H22N2O/c1-3-11-24-21(8-1)10-7-13-25(24)22-16-17-31-29(18-22)35-34-26-12-4-6-15-32(26)40-33(34)20-27-28-19-23-9-2-5-14-30(23)38-37(28)39(31)36(27)35/h1-20,30,38H
InChIKeyURGXQSIBXHQVPQ-UHFFFAOYSA-N
MW510.60 g/mol
LogP9.71
Rot. Bonds1

About 16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene

16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene (PubChem CID 118615345) has the molecular formula C37H22N2O and a molecular weight of 510.60 g/mol. Its IUPAC name is 16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene.

Molecular Properties

Compound Name16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene
PubChem CID118615345
Molecular FormulaC37H22N2O
Molecular Weight510.60 g/mol
Exact Mass510.17
IUPAC Name16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene
SMILESC1=CC2=Cc3c(n4c5ccc(-c6cccc7ccccc67)cc5c5c6c(cc3c54)oc3ccccc36)NC2C=C1
InChIInChI=1S/C37H22N2O/c1-3-11-24-21(8-1)10-7-13-25(24)22-16-17-31-29(18-22)35-34-26-12-4-6-15-32(26)40-33(34)20-27-28-19-23-9-2-5-14-30(23)38-37(28)39(31)36(27)35/h1-20,30,38H
InChIKeyURGXQSIBXHQVPQ-UHFFFAOYSA-N
XLogP9.71
TPSA29.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 59.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene with MolForge

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Related Compounds

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CID 154591217
16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene
CID 144984427
2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
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CID 163962040
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CID 167008224
10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 155485454
12,27-bis(4-tert-butylphenyl)-5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10(15),11,13,16,18(23),19,21,25(30),26,28-pentadecaene
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CID 163827100
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2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
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5-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 163772401

Frequently Asked Questions

What is the IUPAC name of 16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene?
The IUPAC name of 16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene (CID 118615345) is 16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene.
What is the SMILES notation for 16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene?
The canonical SMILES for 16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene is C1=CC2=Cc3c(n4c5ccc(-c6cccc7ccccc67)cc5c5c6c(cc3c54)oc3ccccc36)NC2C=C1.
What is the InChIKey of 16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene?
The InChIKey is URGXQSIBXHQVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2O/c1-3-11-24-21(8-1)10-7-13-25(24)22-16-17-31-29(18-22)35-34-26-12-4-6-15-32(26)40-33(34)20-27-28-19-23-9-2-5-14-30(23)38-37(28)39(31)36(27)35/h1-20,30,38H.
What are the key properties of 16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene?
16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene has a molecular weight of 510.60 g/mol, XLogP of 9.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-naphthalen-1-yl-27-oxa-10,12-diazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,13(18),14,16,19(30),20(28),21,23,25-tridecaene is sourced from PubChem (CID 118615345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).