8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline

C49H32N2 — CID 144854633

IUPAC8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline
SMILESc1ccc(-c2cc(-c3cccc4cccnc34)cc3c2Cc2c(-c4ccccc4)cc(-c4cccc5cccnc45)cc2-c2ccccc2-3)cc1
InChIInChI=1S/C49H32N2/c1-3-13-32(14-4-1)42-27-36(38-23-9-17-34-19-11-25-50-48(34)38)29-44-40-21-7-8-22-41(40)45-30-37(39-24-10-18-35-20-12-26-51-49(35)39)28-43(47(45)31-46(42)44)33-15-5-2-6-16-33/h1-30H,31H2
InChIKeyUWGRTPOQENLGBL-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.69
Rot. Bonds4

About 8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline

8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline (PubChem CID 144854633) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline.

Molecular Properties

Compound Name8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline
PubChem CID144854633
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline
SMILESc1ccc(-c2cc(-c3cccc4cccnc34)cc3c2Cc2c(-c4ccccc4)cc(-c4cccc5cccnc45)cc2-c2ccccc2-3)cc1
InChIInChI=1S/C49H32N2/c1-3-13-32(14-4-1)42-27-36(38-23-9-17-34-19-11-25-50-48(34)38)29-44-40-21-7-8-22-41(40)45-30-37(39-24-10-18-35-20-12-26-51-49(35)39)28-43(47(45)31-46(42)44)33-15-5-2-6-16-33/h1-30H,31H2
InChIKeyUWGRTPOQENLGBL-UHFFFAOYSA-N
XLogP12.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline with MolForge

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Related Compounds

mercury;8-phenylquinoline;hydrate
CID 174770535
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline
CID 146190609
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 146187315
8-[4-[4-(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 130263319
8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394581
8-(9H-fluoren-1-yl)quinoline
CID 151254514
8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 153466143
1,3,6,8-tetraphenyl-9H-fluorene
CID 150022420

Frequently Asked Questions

What is the IUPAC name of 8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline?
The IUPAC name of 8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline (CID 144854633) is 8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline.
What is the SMILES notation for 8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline?
The canonical SMILES for 8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline is c1ccc(-c2cc(-c3cccc4cccnc34)cc3c2Cc2c(-c4ccccc4)cc(-c4cccc5cccnc45)cc2-c2ccccc2-3)cc1.
What is the InChIKey of 8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline?
The InChIKey is UWGRTPOQENLGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-3-13-32(14-4-1)42-27-36(38-23-9-17-34-19-11-25-50-48(34)38)29-44-40-21-7-8-22-41(40)45-30-37(39-24-10-18-35-20-12-26-51-49(35)39)28-43(47(45)31-46(42)44)33-15-5-2-6-16-33/h1-30H,31H2.
What are the key properties of 8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline?
8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline has a molecular weight of 648.81 g/mol, XLogP of 12.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline is sourced from PubChem (CID 144854633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).