12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole

C60H41N5 — CID 165165482

IUPAC12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cc(-c8ccccc8)ccc7-c7ccccc7)c6c54)n3)cccc21
InChIInChI=1S/C60H41N5/c1-60(2)49-29-15-12-27-47(49)54-48(28-18-30-50(54)60)58-61-57(40-23-10-5-11-24-40)62-59(63-58)65-52-32-17-14-26-44(52)46-36-35-45-43-25-13-16-31-51(43)64(55(45)56(46)65)53-37-41(38-19-6-3-7-20-38)33-34-42(53)39-21-8-4-9-22-39/h3-37H,1-2H3
InChIKeyYNYQPABWICLRTC-UHFFFAOYSA-N
MW832.02 g/mol
LogP15.04
Rot. Bonds6

About 12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole

12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole (PubChem CID 165165482) has the molecular formula C60H41N5 and a molecular weight of 832.02 g/mol. Its IUPAC name is 12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
PubChem CID165165482
Molecular FormulaC60H41N5
Molecular Weight832.02 g/mol
Exact Mass831.34
IUPAC Name12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cc(-c8ccccc8)ccc7-c7ccccc7)c6c54)n3)cccc21
InChIInChI=1S/C60H41N5/c1-60(2)49-29-15-12-27-47(49)54-48(28-18-30-50(54)60)58-61-57(40-23-10-5-11-24-40)62-59(63-58)65-52-32-17-14-26-44(52)46-36-35-45-43-25-13-16-31-51(43)64(55(45)56(46)65)53-37-41(38-19-6-3-7-20-38)33-34-42(53)39-21-8-4-9-22-39/h3-37H,1-2H3
InChIKeyYNYQPABWICLRTC-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-[5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-3-phenylcarbazole
CID 177287146
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
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742594
9-[2-[4-(9,9-dimethylfluoren-4-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 176851473
12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163675425
11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165165404
5-(9,9-dimethylfluoren-4-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole
CID 129174065
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
9-[3-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163655067
3,12-diphenyl-11-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 154596185
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

Frequently Asked Questions

What is the IUPAC name of 12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 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) is 12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cc(-c8ccccc8)ccc7-c7ccccc7)c6c54)n3)cccc21.
What is the InChIKey of 12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is YNYQPABWICLRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N5/c1-60(2)49-29-15-12-27-47(49)54-48(28-18-30-50(54)60)58-61-57(40-23-10-5-11-24-40)62-59(63-58)65-52-32-17-14-26-44(52)46-36-35-45-43-25-13-16-31-51(43)64(55(45)56(46)65)53-37-41(38-19-6-3-7-20-38)33-34-42(53)39-21-8-4-9-22-39/h3-37H,1-2H3.
What are the key properties of 12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole?
12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole 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 12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 165165482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).