[3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole

C210H135F5N8O — CID 159541882

IUPAC[3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
SMILESCc1cc(-n2c3ccc(-c4ccccc4)c(-c4ccccc4)c3c3cccnc32)ccc1-c1c2ccccc2c(-c2cc3ccccc3c3ccccc23)c2ccc(F)cc12.Cc1cc(-n2c3ccncc3c3cc(-c4ccccc4)ccc32)ccc1-c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.FC(F)(F)c1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)nccc2n3-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.OCc1cccc(-c2c3ccccc3c(-c3ccc(-n4c5cnccc5c5c(-c6ccccc6)cc(-c6ccccc6)cc54)c(F)c3)c3ccccc23)c1
InChIInChI=1S/C58H37FN2.C54H33F3N2.C50H33FN2O.C48H32N2/c1-36-33-41(61-53-31-30-44(37-15-4-2-5-16-37)54(38-17-6-3-7-18-38)57(53)50-25-14-32-60-58(50)61)27-29-42(36)55-47-23-12-13-24-48(47)56(49-28-26-40(59)35-52(49)55)51-34-39-19-8-9-20-43(39)45-21-10-11-22-46(45)51;55-54(56,57)41-25-20-35(21-26-41)39-24-29-48-47(33-39)52-49(30-31-58-53(52)37-11-2-1-3-12-37)59(48)42-27-22-36(23-28-42)50-43-14-6-8-16-45(43)51(46-17-9-7-15-44(46)50)40-19-18-34-10-4-5-13-38(34)32-40;51-44-28-36(49-40-20-9-7-18-38(40)48(39-19-8-10-21-41(39)49)35-17-11-12-32(26-35)31-54)22-23-45(44)53-46-29-37(33-13-3-1-4-14-33)27-43(34-15-5-2-6-16-34)50(46)42-24-25-52-30-47(42)53;1-31-27-37(50-45-24-21-35(32-11-3-2-4-12-32)29-43(45)44-30-49-26-25-46(44)50)22-23-38(31)48-41-17-9-7-15-39(41)47(40-16-8-10-18-42(40)48)36-20-19-33-13-5-6-14-34(33)28-36/h2-35H,1H3;1-33H;1-30,54H,31H2;2-30H,1H3
InChIKeyMEHWNPIKTGLYBZ-UHFFFAOYSA-N
MW2881.43 g/mol
LogP56.96
Rot. Bonds20

About [3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole

[3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole (PubChem CID 159541882) has the molecular formula C210H135F5N8O and a molecular weight of 2881.43 g/mol. Its IUPAC name is [3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name[3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
PubChem CID159541882
Molecular FormulaC210H135F5N8O
Molecular Weight2881.43 g/mol
Exact Mass2879.07
IUPAC Name[3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
SMILESCc1cc(-n2c3ccc(-c4ccccc4)c(-c4ccccc4)c3c3cccnc32)ccc1-c1c2ccccc2c(-c2cc3ccccc3c3ccccc23)c2ccc(F)cc12.Cc1cc(-n2c3ccncc3c3cc(-c4ccccc4)ccc32)ccc1-c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.FC(F)(F)c1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)nccc2n3-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.OCc1cccc(-c2c3ccccc3c(-c3ccc(-n4c5cnccc5c5c(-c6ccccc6)cc(-c6ccccc6)cc54)c(F)c3)c3ccccc23)c1
InChIInChI=1S/C58H37FN2.C54H33F3N2.C50H33FN2O.C48H32N2/c1-36-33-41(61-53-31-30-44(37-15-4-2-5-16-37)54(38-17-6-3-7-18-38)57(53)50-25-14-32-60-58(50)61)27-29-42(36)55-47-23-12-13-24-48(47)56(49-28-26-40(59)35-52(49)55)51-34-39-19-8-9-20-43(39)45-21-10-11-22-46(45)51;55-54(56,57)41-25-20-35(21-26-41)39-24-29-48-47(33-39)52-49(30-31-58-53(52)37-11-2-1-3-12-37)59(48)42-27-22-36(23-28-42)50-43-14-6-8-16-45(43)51(46-17-9-7-15-44(46)50)40-19-18-34-10-4-5-13-38(34)32-40;51-44-28-36(49-40-20-9-7-18-38(40)48(39-19-8-10-21-41(39)49)35-17-11-12-32(26-35)31-54)22-23-45(44)53-46-29-37(33-13-3-1-4-14-33)27-43(34-15-5-2-6-16-34)50(46)42-24-25-52-30-47(42)53;1-31-27-37(50-45-24-21-35(32-11-3-2-4-12-32)29-43(45)44-30-49-26-25-46(44)50)22-23-38(31)48-41-17-9-7-15-39(41)47(40-16-8-10-18-42(40)48)36-20-19-33-13-5-6-14-34(33)28-36/h2-35H,1H3;1-33H;1-30,54H,31H2;2-30H,1H3
InChIKeyMEHWNPIKTGLYBZ-UHFFFAOYSA-N
XLogP56.96
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms224
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002881.43
LogP ≤ 556.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze [3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole?
The IUPAC name of [3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole (CID 159541882) is [3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for [3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole?
The canonical SMILES for [3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole is Cc1cc(-n2c3ccc(-c4ccccc4)c(-c4ccccc4)c3c3cccnc32)ccc1-c1c2ccccc2c(-c2cc3ccccc3c3ccccc23)c2ccc(F)cc12.Cc1cc(-n2c3ccncc3c3cc(-c4ccccc4)ccc32)ccc1-c1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12.FC(F)(F)c1ccc(-c2ccc3c(c2)c2c(-c4ccccc4)nccc2n3-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.OCc1cccc(-c2c3ccccc3c(-c3ccc(-n4c5cnccc5c5c(-c6ccccc6)cc(-c6ccccc6)cc54)c(F)c3)c3ccccc23)c1.
What is the InChIKey of [3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole?
The InChIKey is MEHWNPIKTGLYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37FN2.C54H33F3N2.C50H33FN2O.C48H32N2/c1-36-33-41(61-53-31-30-44(37-15-4-2-5-16-37)54(38-17-6-3-7-18-38)57(53)50-25-14-32-60-58(50)61)27-29-42(36)55-47-23-12-13-24-48(47)56(49-28-26-40(59)35-52(49)55)51-34-39-19-8-9-20-43(39)45-21-10-11-22-46(45)51;55-54(56,57)41-25-20-35(21-26-41)39-24-29-48-47(33-39)52-49(30-31-58-53(52)37-11-2-1-3-12-37)59(48)42-27-22-36(23-28-42)50-43-14-6-8-16-45(43)51(46-17-9-7-15-44(46)50)40-19-18-34-10-4-5-13-38(34)32-40;51-44-28-36(49-40-20-9-7-18-38(40)48(39-19-8-10-21-41(39)49)35-17-11-12-32(26-35)31-54)22-23-45(44)53-46-29-37(33-13-3-1-4-14-33)27-43(34-15-5-2-6-16-34)50(46)42-24-25-52-30-47(42)53;1-31-27-37(50-45-24-21-35(32-11-3-2-4-12-32)29-43(45)44-30-49-26-25-46(44)50)22-23-38(31)48-41-17-9-7-15-39(41)47(40-16-8-10-18-42(40)48)36-20-19-33-13-5-6-14-34(33)28-36/h2-35H,1H3;1-33H;1-30,54H,31H2;2-30H,1H3.
What are the key properties of [3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole?
[3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole has a molecular weight of 2881.43 g/mol, XLogP of 56.96, 20 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[10-[4-(5,7-diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol;9-[4-(2-fluoro-10-phenanthren-9-ylanthracen-9-yl)-3-methylphenyl]-5,6-diphenylpyrido[2,3-b]indole;5-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-8-phenylpyrido[4,3-b]indole;5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-phenyl-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 159541882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).