6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole

C51H33N5 — CID 170268405

IUPAC6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4[nH]c4ccccc45)n3)cc2)cc1
InChIInChI=1S/C51H33N5/c1-4-14-33(15-5-1)35-24-28-37(29-25-35)49-53-50(38-30-26-36(27-31-38)34-16-6-2-7-17-34)55-51(54-49)43-32-42-40-20-11-13-23-45(40)56(39-18-8-3-9-19-39)48(42)46-41-21-10-12-22-44(41)52-47(43)46/h1-32,52H
InChIKeyQSXFNWGLMSAWSD-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.94
Rot. Bonds6

About 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole

6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole (PubChem CID 170268405) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole.

Molecular Properties

Compound Name6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole
PubChem CID170268405
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4[nH]c4ccccc45)n3)cc2)cc1
InChIInChI=1S/C51H33N5/c1-4-14-33(15-5-1)35-24-28-37(29-25-35)49-53-50(38-30-26-36(27-31-38)34-16-6-2-7-17-34)55-51(54-49)43-32-42-40-20-11-13-23-45(40)56(39-18-8-3-9-19-39)48(42)46-41-21-10-12-22-44(41)52-47(43)46/h1-32,52H
InChIKeyQSXFNWGLMSAWSD-UHFFFAOYSA-N
XLogP12.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,12-diphenyl-5H-indolo[3,2-c]carbazole
CID 67494594
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672692
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,6-diphenylindolo[3,2-c]carbazole
CID 129141720
6-phenyl-12-(4-phenylphenyl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 170255476
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170255379
12-carbazol-9-yl-11-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 168729598
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene
CID 118301005
4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648753
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648747
11-phenyl-1-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12H-indolo[2,3-a]carbazole
CID 135164034
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760

Frequently Asked Questions

What is the IUPAC name of 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole?
The IUPAC name of 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole (CID 170268405) is 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole.
What is the SMILES notation for 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole?
The canonical SMILES for 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4[nH]c4ccccc45)n3)cc2)cc1.
What is the InChIKey of 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole?
The InChIKey is QSXFNWGLMSAWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-14-33(15-5-1)35-24-28-37(29-25-35)49-53-50(38-30-26-36(27-31-38)34-16-6-2-7-17-34)55-51(54-49)43-32-42-40-20-11-13-23-45(40)56(39-18-8-3-9-19-39)48(42)46-41-21-10-12-22-44(41)52-47(43)46/h1-32,52H.
What are the key properties of 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole?
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole has a molecular weight of 715.86 g/mol, XLogP of 12.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-5H-indolo[3,2-c]carbazole is sourced from PubChem (CID 170268405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).