8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

C31H19BrN2 — CID 135279987

IUPAC8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
SMILESBrc1cccc2cccc(N3c4ncccc4-c4cc(-c5ccccc5)cc5cccc3c45)c12
InChIInChI=1S/C31H19BrN2/c32-26-14-4-10-21-11-5-16-28(30(21)26)34-27-15-6-12-22-18-23(20-8-2-1-3-9-20)19-25(29(22)27)24-13-7-17-33-31(24)34/h1-19H
InChIKeyQJNXGYXHRPGGOG-UHFFFAOYSA-N
MW499.41 g/mol
LogP9.27
Rot. Bonds2

About 8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (PubChem CID 135279987) has the molecular formula C31H19BrN2 and a molecular weight of 499.41 g/mol. Its IUPAC name is 8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.

Molecular Properties

Compound Name8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
PubChem CID135279987
Molecular FormulaC31H19BrN2
Molecular Weight499.41 g/mol
Exact Mass498.07
IUPAC Name8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
SMILESBrc1cccc2cccc(N3c4ncccc4-c4cc(-c5ccccc5)cc5cccc3c45)c12
InChIInChI=1S/C31H19BrN2/c32-26-14-4-10-21-11-5-16-28(30(21)26)34-27-15-6-12-22-18-23(20-8-2-1-3-9-20)19-25(29(22)27)24-13-7-17-33-31(24)34/h1-19H
InChIKeyQJNXGYXHRPGGOG-UHFFFAOYSA-N
XLogP9.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.41
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The IUPAC name of 8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (CID 135279987) is 8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.
What is the SMILES notation for 8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The canonical SMILES for 8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is Brc1cccc2cccc(N3c4ncccc4-c4cc(-c5ccccc5)cc5cccc3c45)c12.
What is the InChIKey of 8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The InChIKey is QJNXGYXHRPGGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19BrN2/c32-26-14-4-10-21-11-5-16-28(30(21)26)34-27-15-6-12-22-18-23(20-8-2-1-3-9-20)19-25(29(22)27)24-13-7-17-33-31(24)34/h1-19H.
What are the key properties of 8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene has a molecular weight of 499.41 g/mol, XLogP of 9.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-bromonaphthalen-1-yl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is sourced from PubChem (CID 135279987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).