2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole

C85H52N10 — CID 118503236

IUPAC2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7cc9c(cc7n8-c7ccccc7)c7ccccc7n9-c7ccccc7)ccc5n6-c5ncncn5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C85H52N10/c1-6-20-53(21-7-1)72-50-73(54-22-8-2-9-23-54)90-85(89-72)95-79-41-37-58(45-67(79)71-49-81-69(47-83(71)95)63-31-17-19-33-75(63)92(81)60-26-12-4-13-27-60)57-36-40-78-65(43-57)64-42-56(35-39-77(64)94(78)84-87-51-86-52-88-84)55-34-38-76-66(44-55)70-48-80-68(46-82(70)93(76)61-28-14-5-15-29-61)62-30-16-18-32-74(62)91(80)59-24-10-3-11-25-59/h1-52H
InChIKeyOHWSEAWTVAHFEN-UHFFFAOYSA-N
MW1213.42 g/mol
LogP20.82
Rot. Bonds9

About 2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole

2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole (PubChem CID 118503236) has the molecular formula C85H52N10 and a molecular weight of 1213.42 g/mol. Its IUPAC name is 2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole
PubChem CID118503236
Molecular FormulaC85H52N10
Molecular Weight1213.42 g/mol
Exact Mass1212.44
IUPAC Name2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7cc9c(cc7n8-c7ccccc7)c7ccccc7n9-c7ccccc7)ccc5n6-c5ncncn5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
InChIInChI=1S/C85H52N10/c1-6-20-53(21-7-1)72-50-73(54-22-8-2-9-23-54)90-85(89-72)95-79-41-37-58(45-67(79)71-49-81-69(47-83(71)95)63-31-17-19-33-75(63)92(81)60-26-12-4-13-27-60)57-36-40-78-65(43-57)64-42-56(35-39-77(64)94(78)84-87-51-86-52-88-84)55-34-38-76-66(44-55)70-48-80-68(46-82(70)93(76)61-28-14-5-15-29-61)62-30-16-18-32-74(62)91(80)59-24-10-3-11-25-59/h1-52H
InChIKeyOHWSEAWTVAHFEN-UHFFFAOYSA-N
XLogP20.82
TPSA89.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.42
LogP ≤ 520.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole with MolForge

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Related Compounds

3-[6-[5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 118503313
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
20-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310224
2-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 58511315
9-(4,6-diphenylpyrimidin-2-yl)-2-(9-phenylcarbazol-3-yl)-6-[3-[4-phenyl-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138459281
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 134236668
8-[8-[5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 118503299
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158018815

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole?
The IUPAC name of 2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole (CID 118503236) is 2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7cc9c(cc7n8-c7ccccc7)c7ccccc7n9-c7ccccc7)ccc5n6-c5ncncn5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole?
The InChIKey is OHWSEAWTVAHFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H52N10/c1-6-20-53(21-7-1)72-50-73(54-22-8-2-9-23-54)90-85(89-72)95-79-41-37-58(45-67(79)71-49-81-69(47-83(71)95)63-31-17-19-33-75(63)92(81)60-26-12-4-13-27-60)57-36-40-78-65(43-57)64-42-56(35-39-77(64)94(78)84-87-51-86-52-88-84)55-34-38-76-66(44-55)70-48-80-68(46-82(70)93(76)61-28-14-5-15-29-61)62-30-16-18-32-74(62)91(80)59-24-10-3-11-25-59/h1-52H.
What are the key properties of 2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole?
2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole has a molecular weight of 1213.42 g/mol, XLogP of 20.82, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 118503236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).