30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene

C48H32N2 — CID 89300990

IUPAC30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene
SMILESC1=c2cccc(-n3c4ccc5c6c(cc7c5c4-c4c5c(ccc4n7-c4cccc7ccccc47)c4ccccc4cc53)=CCCC=6)c2=CCC1
InChIInChI=1S/C48H32N2/c1-7-19-35-29(11-1)15-9-21-39(35)49-41-25-23-38-34-18-6-4-14-32(34)28-44-46(38)47(41)48-42(50(44)40-22-10-16-30-12-2-8-20-36(30)40)26-24-37-33-17-5-3-13-31(33)27-43(49)45(37)48/h1,4,6-7,9-28H,2-3,5,8H2
InChIKeyKOYZIXPKFRLFAY-UHFFFAOYSA-N
MW636.80 g/mol
LogP9.44
Rot. Bonds2

About 30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene

30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene (PubChem CID 89300990) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene.

Molecular Properties

Compound Name30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene
PubChem CID89300990
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene
SMILESC1=c2cccc(-n3c4ccc5c6c(cc7c5c4-c4c5c(ccc4n7-c4cccc7ccccc47)c4ccccc4cc53)=CCCC=6)c2=CCC1
InChIInChI=1S/C48H32N2/c1-7-19-35-29(11-1)15-9-21-39(35)49-41-25-23-38-34-18-6-4-14-32(34)28-44-46(38)47(41)48-42(50(44)40-22-10-16-30-12-2-8-20-36(30)40)26-24-37-33-17-5-3-13-31(33)27-43(49)45(37)48/h1,4,6-7,9-28H,2-3,5,8H2
InChIKeyKOYZIXPKFRLFAY-UHFFFAOYSA-N
XLogP9.44
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene?
The IUPAC name of 30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene (CID 89300990) is 30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene.
What is the SMILES notation for 30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene?
The canonical SMILES for 30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene is C1=c2cccc(-n3c4ccc5c6c(cc7c5c4-c4c5c(ccc4n7-c4cccc7ccccc47)c4ccccc4cc53)=CCCC=6)c2=CCC1.
What is the InChIKey of 30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene?
The InChIKey is KOYZIXPKFRLFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-7-19-35-29(11-1)15-9-21-39(35)49-41-25-23-38-34-18-6-4-14-32(34)28-44-46(38)47(41)48-42(50(44)40-22-10-16-30-12-2-8-20-36(30)40)26-24-37-33-17-5-3-13-31(33)27-43(49)45(37)48/h1,4,6-7,9-28H,2-3,5,8H2.
What are the key properties of 30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene?
30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene has a molecular weight of 636.80 g/mol, XLogP of 9.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 30-(6,7-dihydronaphthalen-1-yl)-16-naphthalen-1-yl-16,30-diazaoctacyclo[15.11.1.14,28.02,15.03,12.06,11.019,24.025,29]triaconta-1(28),2(15),3(12),4,6,8,10,13,17,19,23,25(29),26-tridecaene is sourced from PubChem (CID 89300990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).