sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane

C52H49Cl3N7NaO2 — CID 159641270

IUPACsodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane
SMILESC.C1CCOC1.CC(C)(C)[O-].Clc1nc(-c2ccccc2)nc(-n2c3ccccc3c3ccccc32)n1.Clc1nc(Cl)nc(-c2ccccc2)n1.[Na+].c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H13ClN4.C13H10.C9H5Cl2N3.C4H8O.C4H9O.CH4.Na/c22-20-23-19(14-8-2-1-3-9-14)24-21(25-20)26-17-12-6-4-10-15(17)16-11-5-7-13-18(16)26;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;1-2-4-5-3-1;1-4(2,3)5;;/h1-13H;1-8H,9H2;1-5H;1-4H2;1-3H3;1H4;/q;;;;-1;;+1
InChIKeyMQJOXPOXVBOPAD-UHFFFAOYSA-N
MW933.36 g/mol
LogP9.97
Rot. Bonds3

About sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane

sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane (PubChem CID 159641270) has the molecular formula C52H49Cl3N7NaO2 and a molecular weight of 933.36 g/mol. Its IUPAC name is sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane.

Molecular Properties

Compound Namesodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane
PubChem CID159641270
Molecular FormulaC52H49Cl3N7NaO2
Molecular Weight933.36 g/mol
Exact Mass931.29
IUPAC Namesodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane
SMILESC.C1CCOC1.CC(C)(C)[O-].Clc1nc(-c2ccccc2)nc(-n2c3ccccc3c3ccccc32)n1.Clc1nc(Cl)nc(-c2ccccc2)n1.[Na+].c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C21H13ClN4.C13H10.C9H5Cl2N3.C4H8O.C4H9O.CH4.Na/c22-20-23-19(14-8-2-1-3-9-14)24-21(25-20)26-17-12-6-4-10-15(17)16-11-5-7-13-18(16)26;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;1-2-4-5-3-1;1-4(2,3)5;;/h1-13H;1-8H,9H2;1-5H;1-4H2;1-3H3;1H4;/q;;;;-1;;+1
InChIKeyMQJOXPOXVBOPAD-UHFFFAOYSA-N
XLogP9.97
TPSA114.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.36
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane with MolForge

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Related Compounds

sodium;acetic acid;2-chloro-4,6-diphenyl-1,3,5-triazine;(4-chlorophenyl)boronic acid;2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9H-fluoren-3-yl)-9-phenylcarbazole;2-methylpropan-2-olate;palladium;phenylboronic acid;tritert-butylphosphanium;2,4,6-trichloro-1,3,5-triazine
CID 158953889
11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane
CID 159567447
sodium;3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-chloro-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-11,11-dimethylindeno[1,2-b]carbazole;ethane;9H-fluorene;2-methylpropan-2-olate
CID 159519165
9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole
CID 178064886
9-[4-chloro-6-(3-iodophenyl)-1,3,5-triazin-2-yl]carbazole
CID 138461033
9-[4-(4-chlorophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155445890
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-phenylphenyl)carbazole
CID 142377778
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616
4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile
CID 159567553
9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742588
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)carbazol-3-yl]indolo[3,2-b]carbazole
CID 121287012
9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050077

Frequently Asked Questions

What is the IUPAC name of sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane?
The IUPAC name of sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane (CID 159641270) is sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane.
What is the SMILES notation for sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane?
The canonical SMILES for sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane is C.C1CCOC1.CC(C)(C)[O-].Clc1nc(-c2ccccc2)nc(-n2c3ccccc3c3ccccc32)n1.Clc1nc(Cl)nc(-c2ccccc2)n1.[Na+].c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane?
The InChIKey is MQJOXPOXVBOPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN4.C13H10.C9H5Cl2N3.C4H8O.C4H9O.CH4.Na/c22-20-23-19(14-8-2-1-3-9-14)24-21(25-20)26-17-12-6-4-10-15(17)16-11-5-7-13-18(16)26;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6;1-2-4-5-3-1;1-4(2,3)5;;/h1-13H;1-8H,9H2;1-5H;1-4H2;1-3H3;1H4;/q;;;;-1;;+1.
What are the key properties of sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane?
sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane has a molecular weight of 933.36 g/mol, XLogP of 9.97, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;9-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)carbazole;2,4-dichloro-6-phenyl-1,3,5-triazine;9H-fluorene;methane;2-methylpropan-2-olate;oxolane is sourced from PubChem (CID 159641270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).