9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole

C60H41N5 — CID 168742594

IUPAC9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6cc(-c7ccccc7)ccc6c6ccc(-c7ccccc7)cc65)n4)cc3)cccc21
InChIInChI=1S/C60H41N5/c1-60(2)50-24-12-9-22-49(50)56-44(23-15-25-51(56)60)40-28-30-41(31-29-40)57-61-58(64-52-26-13-10-20-45(52)46-21-11-14-27-53(46)64)63-59(62-57)65-54-36-42(38-16-5-3-6-17-38)32-34-47(54)48-35-33-43(37-55(48)65)39-18-7-4-8-19-39/h3-37H,1-2H3
InChIKeyWTRDNFCAKBYZJW-UHFFFAOYSA-N
MW832.02 g/mol
LogP15.04
Rot. Bonds6

About 9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole

9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole (PubChem CID 168742594) has the molecular formula C60H41N5 and a molecular weight of 832.02 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
PubChem CID168742594
Molecular FormulaC60H41N5
Molecular Weight832.02 g/mol
Exact Mass831.34
IUPAC Name9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6cc(-c7ccccc7)ccc6c6ccc(-c7ccccc7)cc65)n4)cc3)cccc21
InChIInChI=1S/C60H41N5/c1-60(2)50-24-12-9-22-49(50)56-44(23-15-25-51(56)60)40-28-30-41(31-29-40)57-61-58(64-52-26-13-10-20-45(52)46-21-11-14-27-53(46)64)63-59(62-57)65-54-36-42(38-16-5-3-6-17-38)32-34-47(54)48-35-33-43(37-55(48)65)39-18-7-4-8-19-39/h3-37H,1-2H3
InChIKeyWTRDNFCAKBYZJW-UHFFFAOYSA-N
XLogP15.04
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.02
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-carbazol-9-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742539
9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742742
12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165482
9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742588
9-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542497
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 122464806
5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139361929
9-[4-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
9-[3-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163655067
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole (CID 168742594) is 9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole is CC1(C)c2ccccc2-c2c(-c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6cc(-c7ccccc7)ccc6c6ccc(-c7ccccc7)cc65)n4)cc3)cccc21.
What is the InChIKey of 9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?
The InChIKey is WTRDNFCAKBYZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N5/c1-60(2)50-24-12-9-22-49(50)56-44(23-15-25-51(56)60)40-28-30-41(31-29-40)57-61-58(64-52-26-13-10-20-45(52)46-21-11-14-27-53(46)64)63-59(62-57)65-54-36-42(38-16-5-3-6-17-38)32-34-47(54)48-35-33-43(37-55(48)65)39-18-7-4-8-19-39/h3-37H,1-2H3.
What are the key properties of 9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?
9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole has a molecular weight of 832.02 g/mol, XLogP of 15.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole is sourced from PubChem (CID 168742594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).