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

C60H49N5 — CID 167267779

IUPAC12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole
SMILESCC1(C)c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c54)cc3)c2C(C)(C)C1(C)C
InChIInChI=1S/C60H49N5/c1-58(2)49-25-17-24-44(52(49)59(3,4)60(58,5)6)38-28-32-42(33-29-38)64-50-26-15-13-22-45(50)47-36-37-48-46-23-14-16-27-51(46)65(54(48)53(47)64)43-34-30-41(31-35-43)57-62-55(39-18-9-7-10-19-39)61-56(63-57)40-20-11-8-12-21-40/h7-37H,1-6H3
InChIKeyUIFCDQDEUXBMPX-UHFFFAOYSA-N
MW840.09 g/mol
LogP15.33
Rot. Bonds6

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

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 167267779) has the molecular formula C60H49N5 and a molecular weight of 840.09 g/mol. Its IUPAC name is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole
PubChem CID167267779
Molecular FormulaC60H49N5
Molecular Weight840.09 g/mol
Exact Mass839.40
IUPAC Name12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole
SMILESCC1(C)c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c54)cc3)c2C(C)(C)C1(C)C
InChIInChI=1S/C60H49N5/c1-58(2)49-25-17-24-44(52(49)59(3,4)60(58,5)6)38-28-32-42(33-29-38)64-50-26-15-13-22-45(50)47-36-37-48-46-23-14-16-27-51(46)65(54(48)53(47)64)43-34-30-41(31-35-43)57-62-55(39-18-9-7-10-19-39)61-56(63-57)40-20-11-8-12-21-40/h7-37H,1-6H3
InChIKeyUIFCDQDEUXBMPX-UHFFFAOYSA-N
XLogP15.33
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.09
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole with MolForge

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Related Compounds

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 167268031
11-[4-[3-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]phenyl]-12-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 167268014
23-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene
CID 126598687
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
11-(1,1,2,2,3,3-hexamethylinden-5-yl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167268585
23-(4,6-diphenyl-1,3,5-triazin-2-yl)-17,17,18,18,19,19-hexamethyl-3-phenyl-3,23-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),21-nonaene
CID 126598372
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole
CID 170567720
11-(9,9-dimethylfluoren-2-yl)-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385363
11-[4-[4-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)phenyl]phenyl]-12-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 167268016
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole (CID 167267779) is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole is CC1(C)c2cccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6c54)cc3)c2C(C)(C)C1(C)C.
What is the InChIKey of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole?
The InChIKey is UIFCDQDEUXBMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H49N5/c1-58(2)49-25-17-24-44(52(49)59(3,4)60(58,5)6)38-28-32-42(33-29-38)64-50-26-15-13-22-45(50)47-36-37-48-46-23-14-16-27-51(46)65(54(48)53(47)64)43-34-30-41(31-35-43)57-62-55(39-18-9-7-10-19-39)61-56(63-57)40-20-11-8-12-21-40/h7-37H,1-6H3.
What are the key properties of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole?
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 840.09 g/mol, XLogP of 15.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 167267779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).