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

C60H41N5 — CID 168742742

IUPAC9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)nc(-n4c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc54)n3)cc21
InChIInChI=1S/C60H41N5/c1-60(2)51-24-14-12-22-45(51)46-30-29-44(34-52(46)60)57-61-58(64-53-25-15-13-23-47(53)48-31-26-41(35-54(48)64)38-16-6-3-7-17-38)63-59(62-57)65-55-36-42(39-18-8-4-9-19-39)27-32-49(55)50-33-28-43(37-56(50)65)40-20-10-5-11-21-40/h3-37H,1-2H3
InChIKeyQDFNFMRXRWZBKF-UHFFFAOYSA-N
MW832.02 g/mol
LogP15.04
Rot. Bonds6

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

9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole (PubChem CID 168742742) has the molecular formula C60H41N5 and a molecular weight of 832.02 g/mol. Its IUPAC name is 9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole.

Molecular Properties

Compound Name9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
PubChem CID168742742
Molecular FormulaC60H41N5
Molecular Weight832.02 g/mol
Exact Mass831.34
IUPAC Name9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)nc(-n4c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc54)n3)cc21
InChIInChI=1S/C60H41N5/c1-60(2)51-24-14-12-22-45(51)46-30-29-44(34-52(46)60)57-61-58(64-53-25-15-13-23-47(53)48-31-26-41(35-54(48)64)38-16-6-3-7-17-38)63-59(62-57)65-55-36-42(39-18-8-4-9-19-39)27-32-49(55)50-33-28-43(37-56(50)65)40-20-10-5-11-21-40/h3-37H,1-2H3
InChIKeyQDFNFMRXRWZBKF-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
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742594
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
CID 137401866
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylcarbazole;1-(9-phenylcarbazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157295181
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
12-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165638
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014138

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?
The IUPAC name of 9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole (CID 168742742) is 9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole.
What is the SMILES notation for 9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?
The canonical SMILES for 9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5ccc(-c6ccccc6)cc54)nc(-n4c5cc(-c6ccccc6)ccc5c5ccc(-c6ccccc6)cc54)n3)cc21.
What is the InChIKey of 9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?
The InChIKey is QDFNFMRXRWZBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N5/c1-60(2)51-24-14-12-22-45(51)46-30-29-44(34-52(46)60)57-61-58(64-53-25-15-13-23-47(53)48-31-26-41(35-54(48)64)38-16-6-3-7-17-38)63-59(62-57)65-55-36-42(39-18-8-4-9-19-39)27-32-49(55)50-33-28-43(37-56(50)65)40-20-10-5-11-21-40/h3-37H,1-2H3.
What are the key properties of 9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole?
9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-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-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole is sourced from PubChem (CID 168742742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).