2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene

C35H22N2 — CID 58121796

IUPAC2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
SMILESc1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4c3nc3ccccn34)cccc2c1
InChIInChI=1S/C35H22N2/c1-3-15-25-23(11-1)13-9-19-27(25)32-29-17-5-6-18-30(29)33(28-20-10-14-24-12-2-4-16-26(24)28)35-34(32)36-31-21-7-8-22-37(31)35/h1-22H
InChIKeyYXXOVEHPJKOZDQ-UHFFFAOYSA-N
MW470.58 g/mol
LogP9.28
Rot. Bonds2

About 2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene

2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene (PubChem CID 58121796) has the molecular formula C35H22N2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene.

Molecular Properties

Compound Name2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
PubChem CID58121796
Molecular FormulaC35H22N2
Molecular Weight470.58 g/mol
Exact Mass470.18
IUPAC Name2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
SMILESc1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4c3nc3ccccn34)cccc2c1
InChIInChI=1S/C35H22N2/c1-3-15-25-23(11-1)13-9-19-27(25)32-29-17-5-6-18-30(29)33(28-20-10-14-24-12-2-4-16-26(24)28)35-34(32)36-31-21-7-8-22-37(31)35/h1-22H
InChIKeyYXXOVEHPJKOZDQ-UHFFFAOYSA-N
XLogP9.28
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene with MolForge

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Related Compounds

9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
CID 143396339
2,9-bis[4-[(E)-2-phenylethenyl]phenyl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
CID 58121907
9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 146325473
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9-[4-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393056
9-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393566
[4-[2-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 59211458
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
11-ethyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
CID 132570511
9-[4-(2,6-dinaphthalen-1-yl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 146325366
11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
CID 132570518
8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-one
CID 616556

Frequently Asked Questions

What is the IUPAC name of 2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The IUPAC name of 2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene (CID 58121796) is 2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene.
What is the SMILES notation for 2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The canonical SMILES for 2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene is c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4c3nc3ccccn34)cccc2c1.
What is the InChIKey of 2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The InChIKey is YXXOVEHPJKOZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2/c1-3-15-25-23(11-1)13-9-19-27(25)32-29-17-5-6-18-30(29)33(28-20-10-14-24-12-2-4-16-26(24)28)35-34(32)36-31-21-7-8-22-37(31)35/h1-22H.
What are the key properties of 2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene has a molecular weight of 470.58 g/mol, XLogP of 9.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene is sourced from PubChem (CID 58121796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).