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

C131H76F6N12 — CID 157082344

IUPAC9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole
SMILESFC(F)(F)c1cc(-n2c3ccccc3c3ccncc32)c(C(F)(F)F)cc1-c1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(-c2ccccn2)n1.c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)cc(-c3ccc(-n4c5ccccc5c5cccnc54)cc3)n2)nc1.c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)cc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)n2)nc1
InChIInChI=1S/C45H24F6N4.2C43H26N4/c46-44(47,48)34-23-40(55-39-10-2-1-8-30(39)31-17-19-52-24-41(31)55)35(45(49,50)51)22-33(34)37-20-28(21-38(54-37)36-9-3-4-18-53-36)29-15-13-27-12-11-25-6-5-7-26-14-16-32(29)43(27)42(25)26;1-2-12-40-34(9-1)36-10-6-24-45-43(36)47(40)32-19-15-27(16-20-32)38-25-31(26-39(46-38)37-11-3-4-23-44-37)33-21-17-30-14-13-28-7-5-8-29-18-22-35(33)42(30)41(28)29;1-2-10-40-34(8-1)36-26-44-23-21-41(36)47(40)32-17-13-27(14-18-32)38-24-31(25-39(46-38)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/h1-24H;2*1-26H
InChIKeyADRUAEVLYIHWKM-UHFFFAOYSA-N
MW1932.12 g/mol
LogP34.64
Rot. Bonds12

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

9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole (PubChem CID 157082344) has the molecular formula C131H76F6N12 and a molecular weight of 1932.12 g/mol. Its IUPAC name is 9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole
PubChem CID157082344
Molecular FormulaC131H76F6N12
Molecular Weight1932.12 g/mol
Exact Mass1930.62
IUPAC Name9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole
SMILESFC(F)(F)c1cc(-n2c3ccccc3c3ccncc32)c(C(F)(F)F)cc1-c1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(-c2ccccn2)n1.c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)cc(-c3ccc(-n4c5ccccc5c5cccnc54)cc3)n2)nc1.c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)cc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)n2)nc1
InChIInChI=1S/C45H24F6N4.2C43H26N4/c46-44(47,48)34-23-40(55-39-10-2-1-8-30(39)31-17-19-52-24-41(31)55)35(45(49,50)51)22-33(34)37-20-28(21-38(54-37)36-9-3-4-18-53-36)29-15-13-27-12-11-25-6-5-7-26-14-16-32(29)43(27)42(25)26;1-2-12-40-34(9-1)36-10-6-24-45-43(36)47(40)32-19-15-27(16-20-32)38-25-31(26-39(46-38)37-11-3-4-23-44-37)33-21-17-30-14-13-28-7-5-8-29-18-22-35(33)42(30)41(28)29;1-2-10-40-34(8-1)36-26-44-23-21-41(36)47(40)32-17-13-27(14-18-32)38-24-31(25-39(46-38)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/h1-24H;2*1-26H
InChIKeyADRUAEVLYIHWKM-UHFFFAOYSA-N
XLogP34.64
TPSA130.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001932.12
LogP ≤ 534.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-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
US11649237, Example 209
CID 137525203
US11649237, Example 30
CID 137525240
US11649237, Example 216
CID 137527786
US11649237, Example 56
CID 137527948
US11649237, Example 22
CID 137528055
4-Naphthalen-2-yl-16-(3-phenylpropyl)-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride
CID 168277690

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole?
The IUPAC name of 9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole (CID 157082344) is 9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole is FC(F)(F)c1cc(-n2c3ccccc3c3ccncc32)c(C(F)(F)F)cc1-c1cc(-c2ccc3ccc4cccc5ccc2c3c45)cc(-c2ccccn2)n1.c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)cc(-c3ccc(-n4c5ccccc5c5cccnc54)cc3)n2)nc1.c1ccc(-c2cc(-c3ccc4ccc5cccc6ccc3c4c56)cc(-c3ccc(-n4c5ccccc5c5cnccc54)cc3)n2)nc1.
What is the InChIKey of 9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole?
The InChIKey is ADRUAEVLYIHWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H24F6N4.2C43H26N4/c46-44(47,48)34-23-40(55-39-10-2-1-8-30(39)31-17-19-52-24-41(31)55)35(45(49,50)51)22-33(34)37-20-28(21-38(54-37)36-9-3-4-18-53-36)29-15-13-27-12-11-25-6-5-7-26-14-16-32(29)43(27)42(25)26;1-2-12-40-34(9-1)36-10-6-24-45-43(36)47(40)32-19-15-27(16-20-32)38-25-31(26-39(46-38)37-11-3-4-23-44-37)33-21-17-30-14-13-28-7-5-8-29-18-22-35(33)42(30)41(28)29;1-2-10-40-34(8-1)36-26-44-23-21-41(36)47(40)32-17-13-27(14-18-32)38-24-31(25-39(46-38)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/h1-24H;2*1-26H.
What are the key properties of 9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole?
9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole has a molecular weight of 1932.12 g/mol, XLogP of 34.64, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)-2,5-bis(trifluoromethyl)phenyl]pyrido[3,4-b]indole;5-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyren-1-yl-6-pyridin-2-yl-2-pyridinyl)phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 157082344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).