5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole

C130H77F3N12 — CID 159796792

IUPAC5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole
SMILESFC(F)(F)c1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)cc(-c3ccc4ccc5cccc6ccc3c4c56)n2)nc1.c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)cc(-c3cccc(-n4c5ccccc5c5cccnc54)c3)n2)nc1
InChIInChI=1S/C44H25F3N4.2C43H26N4/c45-44(46,47)31-15-20-39-35(25-31)43-40(8-4-22-49-43)51(39)32-16-11-26(12-17-32)30-23-37(50-38(24-30)36-7-1-2-21-48-36)33-18-13-29-10-9-27-5-3-6-28-14-19-34(33)42(29)41(27)28;1-2-15-40-34(12-1)36-13-7-23-45-43(36)47(40)32-11-6-10-30(24-32)38-25-31(26-39(46-38)37-14-3-4-22-44-37)33-20-18-29-17-16-27-8-5-9-28-19-21-35(33)42(29)41(27)28;1-2-10-40-34(8-1)36-26-44-23-21-41(36)47(40)32-17-13-27(14-18-32)31-24-38(46-39(25-31)37-9-3-4-22-45-37)33-19-15-30-12-11-28-6-5-7-29-16-20-35(33)43(30)42(28)29/h1-25H;2*1-26H
InChIKeyNJGUJGBRXKAFKZ-UHFFFAOYSA-N
MW1864.12 g/mol
LogP33.62
Rot. Bonds12

About 5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole

5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole (PubChem CID 159796792) has the molecular formula C130H77F3N12 and a molecular weight of 1864.12 g/mol. Its IUPAC name is 5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole
PubChem CID159796792
Molecular FormulaC130H77F3N12
Molecular Weight1864.12 g/mol
Exact Mass1862.63
IUPAC Name5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole
SMILESFC(F)(F)c1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)cc(-c3ccc4ccc5cccc6ccc3c4c56)n2)nc1.c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)cc(-c3cccc(-n4c5ccccc5c5cccnc54)c3)n2)nc1
InChIInChI=1S/C44H25F3N4.2C43H26N4/c45-44(46,47)31-15-20-39-35(25-31)43-40(8-4-22-49-43)51(39)32-16-11-26(12-17-32)30-23-37(50-38(24-30)36-7-1-2-21-48-36)33-18-13-29-10-9-27-5-3-6-28-14-19-34(33)42(29)41(27)28;1-2-15-40-34(12-1)36-13-7-23-45-43(36)47(40)32-11-6-10-30(24-32)38-25-31(26-39(46-38)37-14-3-4-22-44-37)33-20-18-29-17-16-27-8-5-9-28-19-21-35(33)42(29)41(27)28;1-2-10-40-34(8-1)36-26-44-23-21-41(36)47(40)32-17-13-27(14-18-32)31-24-38(46-39(25-31)37-9-3-4-22-45-37)33-19-15-30-12-11-28-6-5-7-29-16-20-35(33)43(30)42(28)29/h1-25H;2*1-26H
InChIKeyNJGUJGBRXKAFKZ-UHFFFAOYSA-N
XLogP33.62
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001864.12
LogP ≤ 533.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole with MolForge

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Related Compounds

5,7-Difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566598
2-Methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinoline
CID 139326716
7-Methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 141370316
1-(4-Fluorophenyl)-2-methyl-8-naphthalen-2-ylimidazo[4,5-c]quinoline
CID 168289126
7-Methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566631
5-Methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 155550628
8-Fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566427
2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[2-(2-propylpyrimidin-5-yl)-5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-8-yl]piperazin-1-yl]ethanone
CID 118396307
US11649237, Example 27
CID 137524952
US11649237, Example 21
CID 137525109
US11649237, Example 209
CID 137525203
US11649237, Example 30
CID 137525240

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole?
The IUPAC name of 5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole (CID 159796792) is 5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole.
What is the SMILES notation for 5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole?
The canonical SMILES for 5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole is FC(F)(F)c1ccc2c(c1)c1ncccc1n2-c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc4ccc5cccc6ccc3c4c56)c2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)cc(-c3ccc4ccc5cccc6ccc3c4c56)n2)nc1.c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)cc(-c3cccc(-n4c5ccccc5c5cccnc54)c3)n2)nc1.
What is the InChIKey of 5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole?
The InChIKey is NJGUJGBRXKAFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25F3N4.2C43H26N4/c45-44(46,47)31-15-20-39-35(25-31)43-40(8-4-22-49-43)51(39)32-16-11-26(12-17-32)30-23-37(50-38(24-30)36-7-1-2-21-48-36)33-18-13-29-10-9-27-5-3-6-28-14-19-34(33)42(29)41(27)28;1-2-15-40-34(12-1)36-13-7-23-45-43(36)47(40)32-11-6-10-30(24-32)38-25-31(26-39(46-38)37-14-3-4-22-44-37)33-20-18-29-17-16-27-8-5-9-28-19-21-35(33)42(29)41(27)28;1-2-10-40-34(8-1)36-26-44-23-21-41(36)47(40)32-17-13-27(14-18-32)31-24-38(46-39(25-31)37-9-3-4-22-45-37)33-19-15-30-12-11-28-6-5-7-29-16-20-35(33)43(30)42(28)29/h1-25H;2*1-26H.
What are the key properties of 5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole?
5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole has a molecular weight of 1864.12 g/mol, XLogP of 33.62, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[3-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole;5-[4-(2-pyren-1-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]-8-(trifluoromethyl)pyrido[3,2-b]indole is sourced from PubChem (CID 159796792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).