11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole

C52H33N5 — CID 170280570

IUPAC11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Cc3cc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)ccc3-4)n2)cc1
InChIInChI=1S/C52H33N5/c1-4-14-33(15-5-1)50-53-51(34-16-6-2-7-17-34)55-52(54-50)35-24-26-40-36(28-35)29-37-30-39(25-27-41(37)40)57-47-23-13-11-21-43(47)45-31-48-44(32-49(45)57)42-20-10-12-22-46(42)56(48)38-18-8-3-9-19-38/h1-28,30-32H,29H2
InChIKeyMOCCVVAWFLFBIY-UHFFFAOYSA-N
MW727.87 g/mol
LogP12.64
Rot. Bonds5

About 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole

11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 170280570) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole
PubChem CID170280570
Molecular FormulaC52H33N5
Molecular Weight727.87 g/mol
Exact Mass727.27
IUPAC Name11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Cc3cc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)ccc3-4)n2)cc1
InChIInChI=1S/C52H33N5/c1-4-14-33(15-5-1)50-53-51(34-16-6-2-7-17-34)55-52(54-50)35-24-26-40-36(28-35)29-37-30-39(25-27-41(37)40)57-47-23-13-11-21-43(47)45-31-48-44(32-49(45)57)42-20-10-12-22-46(42)56(48)38-18-8-3-9-19-38/h1-28,30-32H,29H2
InChIKeyMOCCVVAWFLFBIY-UHFFFAOYSA-N
XLogP12.64
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 146335978
22-[4-[4,6-bis[4-(5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaen-22-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 88949847
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
CID 159941537
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 121306370
5-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014900
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,11-dihydrotetracen-2-yl]carbazole
CID 139329534
5-phenyl-11-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indolo[3,2-b]carbazole
CID 155240719
3,6-di(carbazol-9-yl)-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,12-dihydrotetracen-2-yl]carbazole
CID 139335356
5-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362546

Frequently Asked Questions

What is the IUPAC name of 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole (CID 170280570) is 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Cc3cc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccccc5)ccc3-4)n2)cc1.
What is the InChIKey of 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is MOCCVVAWFLFBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-4-14-33(15-5-1)50-53-51(34-16-6-2-7-17-34)55-52(54-50)35-24-26-40-36(28-35)29-37-30-39(25-27-41(37)40)57-47-23-13-11-21-43(47)45-31-48-44(32-49(45)57)42-20-10-12-22-46(42)56(48)38-18-8-3-9-19-38/h1-28,30-32H,29H2.
What are the key properties of 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole?
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 727.87 g/mol, XLogP of 12.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 170280570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).