3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene)

C162H113N19 — CID 158612011

IUPAC3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene)
SMILESC=CC.C=CC.C=CC.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7[nH]c6c54)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
InChIInChI=1S/2C57H35N7.C39H25N5.3C3H6/c1-3-15-35(16-4-1)36-27-29-37(30-28-36)55-59-56(63-49-25-13-9-20-40(49)44-32-31-43-39-19-7-11-23-47(39)58-51(43)52(44)63)61-57(60-55)64-50-26-14-10-22-42(50)46-34-33-45-41-21-8-12-24-48(41)62(53(45)54(46)64)38-17-5-2-6-18-38;1-2-16-36(17-3-1)55-58-56(63-51-28-14-8-22-43(51)45-34-37(30-32-53(45)63)61-47-24-10-4-18-39(47)40-19-5-11-25-48(40)61)60-57(59-55)64-52-29-15-9-23-44(52)46-35-38(31-33-54(46)64)62-49-26-12-6-20-41(49)42-21-7-13-27-50(42)62;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-32-22-12-10-20-29(32)30-24-25-34-35(36(30)44)31-21-11-13-23-33(31)43(34)28-18-8-3-9-19-28;3*1-3-2/h1-34,58H;1-35H;1-25H;3*3H,1H2,2H3
InChIKeyHWYJIHFMIWQIPR-UHFFFAOYSA-N
MW2325.82 g/mol
LogP41.04
Rot. Bonds14

About 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene)

3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene) (PubChem CID 158612011) has the molecular formula C162H113N19 and a molecular weight of 2325.82 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene).

Molecular Properties

Compound Name3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene)
PubChem CID158612011
Molecular FormulaC162H113N19
Molecular Weight2325.82 g/mol
Exact Mass2323.94
IUPAC Name3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene)
SMILESC=CC.C=CC.C=CC.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7[nH]c6c54)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1
InChIInChI=1S/2C57H35N7.C39H25N5.3C3H6/c1-3-15-35(16-4-1)36-27-29-37(30-28-36)55-59-56(63-49-25-13-9-20-40(49)44-32-31-43-39-19-7-11-23-47(39)58-51(43)52(44)63)61-57(60-55)64-50-26-14-10-22-42(50)46-34-33-45-41-21-8-12-24-48(41)62(53(45)54(46)64)38-17-5-2-6-18-38;1-2-16-36(17-3-1)55-58-56(63-51-28-14-8-22-43(51)45-34-37(30-32-53(45)63)61-47-24-10-4-18-39(47)40-19-5-11-25-48(40)61)60-57(59-55)64-52-29-15-9-23-44(52)46-35-38(31-33-54(46)64)62-49-26-12-6-20-41(49)42-21-7-13-27-50(42)62;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-32-22-12-10-20-29(32)30-24-25-34-35(36(30)44)31-21-11-13-23-33(31)43(34)28-18-8-3-9-19-28;3*1-3-2/h1-34,58H;1-35H;1-25H;3*3H,1H2,2H3
InChIKeyHWYJIHFMIWQIPR-UHFFFAOYSA-N
XLogP41.04
TPSA176.17 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002325.82
LogP ≤ 541.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene)?
The IUPAC name of 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene) (CID 158612011) is 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene).
What is the SMILES notation for 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene)?
The canonical SMILES for 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene) is C=CC.C=CC.C=CC.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7[nH]c6c54)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene)?
The InChIKey is HWYJIHFMIWQIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H35N7.C39H25N5.3C3H6/c1-3-15-35(16-4-1)36-27-29-37(30-28-36)55-59-56(63-49-25-13-9-20-40(49)44-32-31-43-39-19-7-11-23-47(39)58-51(43)52(44)63)61-57(60-55)64-50-26-14-10-22-42(50)46-34-33-45-41-21-8-12-24-48(41)62(53(45)54(46)64)38-17-5-2-6-18-38;1-2-16-36(17-3-1)55-58-56(63-51-28-14-8-22-43(51)45-34-37(30-32-53(45)63)61-47-24-10-4-18-39(47)40-19-5-11-25-48(40)61)60-57(59-55)64-52-29-15-9-23-44(52)46-35-38(31-33-54(46)64)62-49-26-12-6-20-41(49)42-21-7-13-27-50(42)62;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-32-22-12-10-20-29(32)30-24-25-34-35(36(30)44)31-21-11-13-23-33(31)43(34)28-18-8-3-9-19-28;3*1-3-2/h1-34,58H;1-35H;1-25H;3*3H,1H2,2H3.
What are the key properties of 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene)?
3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene) has a molecular weight of 2325.82 g/mol, XLogP of 41.04, 14 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-[4-(11H-indolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;tris(prop-1-ene) is sourced from PubChem (CID 158612011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).