3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole

C104H66N10 — CID 159941537

IUPAC3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc3C4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc3C4)n2)cc1
InChIInChI=1S/2C52H33N5/c2*1-3-13-33(14-4-1)50-53-51(34-15-5-2-6-16-34)55-52(54-50)37-24-23-35-29-36-25-26-38(31-44(36)43(35)30-37)57-48-22-12-9-19-42(48)45-32-39(27-28-49(45)57)56-46-20-10-7-17-40(46)41-18-8-11-21-47(41)56/h2*1-28,30-32H,29H2
InChIKeyOAYFCBZJADLXQH-UHFFFAOYSA-N
MW1455.74 g/mol
LogP25.28
Rot. Bonds10

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

3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole (PubChem CID 159941537) has the molecular formula C104H66N10 and a molecular weight of 1455.74 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
PubChem CID159941537
Molecular FormulaC104H66N10
Molecular Weight1455.74 g/mol
Exact Mass1454.55
IUPAC Name3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc3C4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc3C4)n2)cc1
InChIInChI=1S/2C52H33N5/c2*1-3-13-33(14-4-1)50-53-51(34-15-5-2-6-16-34)55-52(54-50)37-24-23-35-29-36-25-26-38(31-44(36)43(35)30-37)57-48-22-12-9-19-42(48)45-32-39(27-28-49(45)57)56-46-20-10-7-17-40(46)41-18-8-11-21-47(41)56/h2*1-28,30-32H,29H2
InChIKeyOAYFCBZJADLXQH-UHFFFAOYSA-N
XLogP25.28
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001455.74
LogP ≤ 525.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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
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
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 170280570
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421301
9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole
CID 119078686
10-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 118562678

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole (CID 159941537) is 3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc3C4)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc3C4)n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole?
The InChIKey is OAYFCBZJADLXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H33N5/c2*1-3-13-33(14-4-1)50-53-51(34-15-5-2-6-16-34)55-52(54-50)37-24-23-35-29-36-25-26-38(31-44(36)43(35)30-37)57-48-22-12-9-19-42(48)45-32-39(27-28-49(45)57)56-46-20-10-7-17-40(46)41-18-8-11-21-47(41)56/h2*1-28,30-32H,29H2.
What are the key properties of 3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole?
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole has a molecular weight of 1455.74 g/mol, XLogP of 25.28, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole is sourced from PubChem (CID 159941537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).