5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole

C71H47N7 — CID 88930773

IUPAC5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESC1=Cc2c(c3c(ccc4c5c(n(-c6cccc(-n7c8ccccc8c8c7ccc7c9ccccc9n(-c9ccccc9)c78)c6)c43)CCC=C5)n2-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C71H47N7/c1-2-21-50(22-3-1)76-59-29-12-8-25-53(59)55-37-39-63-65(67(55)76)57-27-10-14-31-61(57)75(63)51-23-16-24-52(43-51)77-60-30-13-9-26-54(60)56-38-40-64-66(68(56)77)58-28-11-15-32-62(58)78(64)71-73-69(48-35-33-44-17-4-6-19-46(44)41-48)72-70(74-71)49-36-34-45-18-5-7-20-47(45)42-49/h1-10,12,14-27,29,31-43H,11,13,28,30H2
InChIKeyAIJDYEVACSLDCV-UHFFFAOYSA-N
MW998.21 g/mol
LogP17.51
Rot. Bonds6

About 5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole

5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 88930773) has the molecular formula C71H47N7 and a molecular weight of 998.21 g/mol. Its IUPAC name is 5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID88930773
Molecular FormulaC71H47N7
Molecular Weight998.21 g/mol
Exact Mass997.39
IUPAC Name5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESC1=Cc2c(c3c(ccc4c5c(n(-c6cccc(-n7c8ccccc8c8c7ccc7c9ccccc9n(-c9ccccc9)c78)c6)c43)CCC=C5)n2-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C71H47N7/c1-2-21-50(22-3-1)76-59-29-12-8-25-53(59)55-37-39-63-65(67(55)76)57-27-10-14-31-61(57)75(63)51-23-16-24-52(43-51)77-60-30-13-9-26-54(60)56-38-40-64-66(68(56)77)58-28-11-15-32-62(58)78(64)71-73-69(48-35-33-44-17-4-6-19-46(44)41-48)72-70(74-71)49-36-34-45-18-5-7-20-47(45)42-49/h1-10,12,14-27,29,31-43H,11,13,28,30H2
InChIKeyAIJDYEVACSLDCV-UHFFFAOYSA-N
XLogP17.51
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.21
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
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3-[11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[2,3-a]carbazol-2-yl]-11-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
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12-[4-(3,4-dihydrocarbazol-9-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 162363085
5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 88950410
12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole
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20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene
CID 158500793
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5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
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CID 155240808
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 156530868

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 88930773) is 5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole is C1=Cc2c(c3c(ccc4c5c(n(-c6cccc(-n7c8ccccc8c8c7ccc7c9ccccc9n(-c9ccccc9)c78)c6)c43)CCC=C5)n2-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of 5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is AIJDYEVACSLDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N7/c1-2-21-50(22-3-1)76-59-29-12-8-25-53(59)55-37-39-63-65(67(55)76)57-27-10-14-31-61(57)75(63)51-23-16-24-52(43-51)77-60-30-13-9-26-54(60)56-38-40-64-66(68(56)77)58-28-11-15-32-62(58)78(64)71-73-69(48-35-33-44-17-4-6-19-46(44)41-48)72-70(74-71)49-36-34-45-18-5-7-20-47(45)42-49/h1-10,12,14-27,29,31-43H,11,13,28,30H2.
What are the key properties of 5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 998.21 g/mol, XLogP of 17.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 88930773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).