15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene

C34H23N3 — CID 90223604

IUPAC15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
SMILESCc1ccccc1-n1ccc2ccc3c(ccc4c3c3ccccc3n4-c3ccc4ccccc4n3)c21
InChIInChI=1S/C34H23N3/c1-22-8-2-6-12-29(22)36-21-20-24-14-16-25-26(34(24)36)17-18-31-33(25)27-10-4-7-13-30(27)37(31)32-19-15-23-9-3-5-11-28(23)35-32/h2-21H,1H3
InChIKeyFMLXIFXCLSORIH-UHFFFAOYSA-N
MW473.58 g/mol
LogP8.74
Rot. Bonds2

About 15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene

15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene (PubChem CID 90223604) has the molecular formula C34H23N3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene.

Molecular Properties

Compound Name15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
PubChem CID90223604
Molecular FormulaC34H23N3
Molecular Weight473.58 g/mol
Exact Mass473.19
IUPAC Name15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
SMILESCc1ccccc1-n1ccc2ccc3c(ccc4c3c3ccccc3n4-c3ccc4ccccc4n3)c21
InChIInChI=1S/C34H23N3/c1-22-8-2-6-12-29(22)36-21-20-24-14-16-25-26(34(24)36)17-18-31-33(25)27-10-4-7-13-30(27)37(31)32-19-15-23-9-3-5-11-28(23)35-32/h2-21H,1H3
InChIKeyFMLXIFXCLSORIH-UHFFFAOYSA-N
XLogP8.74
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene with MolForge

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Related Compounds

9-(4-carbazol-9-ylphenyl)-15-(2-methylphenyl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 90223710
5,12-di(quinolin-2-yl)indolo[3,2-c]carbazole
CID 58184804
9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 90223722
12-(3-phenylphenyl)-5-quinolin-2-ylindolo[3,2-c]carbazole
CID 170268414
3-phenyl-17-quinolin-2-yl-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
CID 90223726
15-phenyl-9-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 144645343
18-phenyl-10-quinolin-2-yl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90222786
7,10-di(quinolin-2-yl)benzo[c]carbazole
CID 90249861
12-quinolin-2-yl-5H-indolo[3,2-c]carbazole
CID 146360089
9-naphthalen-1-yl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135162926
7-(3-methylquinoxalin-2-yl)benzo[c]carbazole
CID 130265958
10-phenyl-18-quinolin-2-yl-10,18-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,16,19-nonaene
CID 90223358

Frequently Asked Questions

What is the IUPAC name of 15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
The IUPAC name of 15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene (CID 90223604) is 15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene.
What is the SMILES notation for 15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
The canonical SMILES for 15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene is Cc1ccccc1-n1ccc2ccc3c(ccc4c3c3ccccc3n4-c3ccc4ccccc4n3)c21.
What is the InChIKey of 15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
The InChIKey is FMLXIFXCLSORIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3/c1-22-8-2-6-12-29(22)36-21-20-24-14-16-25-26(34(24)36)17-18-31-33(25)27-10-4-7-13-30(27)37(31)32-19-15-23-9-3-5-11-28(23)35-32/h2-21H,1H3.
What are the key properties of 15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene?
15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene has a molecular weight of 473.58 g/mol, XLogP of 8.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-methylphenyl)-9-quinolin-2-yl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene is sourced from PubChem (CID 90223604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).