3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine

C195H137N13OS — CID 157202655

IUPAC3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine
SMILESCc1c(C)c(-c2ccccc2)c(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1-c1ccccc1.Cc1c(C)c(-c2ccccc2)c(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1-c1ccccc1.Cc1c(C)c(-c2ccccc2)c(-c2ccc(N3c4ccccc4Sc4ccccc43)cc2)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1-c1ccccc1
InChIInChI=1S/C77H53N5.C59H42N4O.C59H42N4S/c1-50-51(2)72(53-24-10-4-11-25-53)74(73(71(50)52-22-8-3-9-23-52)54-36-38-58(39-37-54)77-79-75(56-26-12-5-13-27-56)78-76(80-77)57-28-14-6-15-29-57)55-40-44-62(45-41-55)82-68-35-21-19-33-64(68)66-49-60(43-47-70(66)82)59-42-46-69-65(48-59)63-32-18-20-34-67(63)81(69)61-30-16-7-17-31-61;2*1-39-40(2)54(42-21-9-4-10-22-42)56(44-35-37-48(38-36-44)63-49-27-15-17-29-51(49)64-52-30-18-16-28-50(52)63)55(53(39)41-19-7-3-8-20-41)43-31-33-47(34-32-43)59-61-57(45-23-11-5-12-24-45)60-58(62-59)46-25-13-6-14-26-46/h3-49H,1-2H3;2*3-38H,1-2H3
InChIKeyAQZCNNCDARWMBN-UHFFFAOYSA-N
MW2710.40 g/mol
LogP51.84
Rot. Bonds26

About 3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine

3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine (PubChem CID 157202655) has the molecular formula C195H137N13OS and a molecular weight of 2710.40 g/mol. Its IUPAC name is 3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine
PubChem CID157202655
Molecular FormulaC195H137N13OS
Molecular Weight2710.40 g/mol
Exact Mass2708.08
IUPAC Name3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine
SMILESCc1c(C)c(-c2ccccc2)c(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1-c1ccccc1.Cc1c(C)c(-c2ccccc2)c(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1-c1ccccc1.Cc1c(C)c(-c2ccccc2)c(-c2ccc(N3c4ccccc4Sc4ccccc43)cc2)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1-c1ccccc1
InChIInChI=1S/C77H53N5.C59H42N4O.C59H42N4S/c1-50-51(2)72(53-24-10-4-11-25-53)74(73(71(50)52-22-8-3-9-23-52)54-36-38-58(39-37-54)77-79-75(56-26-12-5-13-27-56)78-76(80-77)57-28-14-6-15-29-57)55-40-44-62(45-41-55)82-68-35-21-19-33-64(68)66-49-60(43-47-70(66)82)59-42-46-69-65(48-59)63-32-18-20-34-67(63)81(69)61-30-16-7-17-31-61;2*1-39-40(2)54(42-21-9-4-10-22-42)56(44-35-37-48(38-36-44)63-49-27-15-17-29-51(49)64-52-30-18-16-28-50(52)63)55(53(39)41-19-7-3-8-20-41)43-31-33-47(34-32-43)59-61-57(45-23-11-5-12-24-45)60-58(62-59)46-25-13-6-14-26-46/h3-49H,1-2H3;2*3-38H,1-2H3
InChIKeyAQZCNNCDARWMBN-UHFFFAOYSA-N
XLogP51.84
TPSA141.58 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002710.40
LogP ≤ 551.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine?
The IUPAC name of 3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine (CID 157202655) is 3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine.
What is the SMILES notation for 3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine?
The canonical SMILES for 3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine is Cc1c(C)c(-c2ccccc2)c(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1-c1ccccc1.Cc1c(C)c(-c2ccccc2)c(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1-c1ccccc1.Cc1c(C)c(-c2ccccc2)c(-c2ccc(N3c4ccccc4Sc4ccccc43)cc2)c(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c1-c1ccccc1.
What is the InChIKey of 3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine?
The InChIKey is AQZCNNCDARWMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H53N5.C59H42N4O.C59H42N4S/c1-50-51(2)72(53-24-10-4-11-25-53)74(73(71(50)52-22-8-3-9-23-52)54-36-38-58(39-37-54)77-79-75(56-26-12-5-13-27-56)78-76(80-77)57-28-14-6-15-29-57)55-40-44-62(45-41-55)82-68-35-21-19-33-64(68)66-49-60(43-47-70(66)82)59-42-46-69-65(48-59)63-32-18-20-34-67(63)81(69)61-30-16-7-17-31-61;2*1-39-40(2)54(42-21-9-4-10-22-42)56(44-35-37-48(38-36-44)63-49-27-15-17-29-51(49)64-52-30-18-16-28-50(52)63)55(53(39)41-19-7-3-8-20-41)43-31-33-47(34-32-43)59-61-57(45-23-11-5-12-24-45)60-58(62-59)46-25-13-6-14-26-46/h3-49H,1-2H3;2*3-38H,1-2H3.
What are the key properties of 3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine?
3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine has a molecular weight of 2710.40 g/mol, XLogP of 51.84, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenothiazine;10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,5-dimethyl-3,6-diphenylphenyl]phenyl]phenoxazine is sourced from PubChem (CID 157202655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).