11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole

C150H94F12N16 — CID 146411911

About 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole

11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole (PubChem CID 146411911) has the molecular formula C150H94F12N16 and a molecular weight of 2348.49 g/mol. Its IUPAC name is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole
• PubChem CID: 146411911
• Molecular Formula: C150H94F12N16
• Molecular Weight: 2348.49 g/mol
• Exact Mass: 2346.77
• IUPAC Name: 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole
• SMILES: C=C/C=C\C=C(/C)c1c(-c2ccccc2)c2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(C(F)(F)F)c3)c2c2c1c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-n7c8ccccc8c8c(-c9ccccc9)c(/C(C)=C/C=C\C=C)c9c%10ccccc%10n(-c%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc%10C(F)(F)F)c9c87)c(C(F)(F)F)c6)n5)cc4)cc3)n2)c(C(F)(F)F)c1
• InChI: InChI=1S/C150H94F12N16/c1-5-7-17-43-89(3)123-125(93-45-19-9-20-46-93)129-110-62-36-40-66-118(110)176(106-80-82-107(114(88-106)148(154,155)156)145-171-138(98-55-29-14-30-56-98)165-139(172-145)99-57-31-15-32-58-99)132(129)131-127(123)109-61-35-39-65-117(109)175(131)105-79-81-108(113(87-105)147(151,152)153)146-173-140(100-59-33-16-34-60-100)166-142(174-146)102-75-71-92(72-76-102)91-69-73-101(74-70-91)141-164-137(97-53-27-13-28-54-97)169-144(170-141)104-78-84-122(116(86-104)150(160,161)162)178-120-68-42-38-64-112(120)130-126(94-47-21-10-22-48-94)124(90(4)44-18-8-6-2)128-111-63-37-41-67-119(111)177(133(128)134(130)178)121-83-77-103(85-115(121)149(157,158)159)143-167-135(95-49-23-11-24-50-95)163-136(168-143)96-51-25-12-26-52-96/h5-88H,1-2H2,3-4H3/b17-7-,18-8-,89-43+,90-44+
• InChIKey: PWGCHNQWTNPVDD-LXWBUEGJSA-N
• XLogP: 40.19
• TPSA: 174.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2348.49
LogP ≤ 5	40.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole?

The IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole (CID 146411911) is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole.

What is the SMILES notation for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole?

The canonical SMILES for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole is C=C/C=C\C=C(/C)c1c(-c2ccccc2)c2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c(C(F)(F)F)c3)c2c2c1c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-n7c8ccccc8c8c(-c9ccccc9)c(/C(C)=C/C=C\C=C)c9c%10ccccc%10n(-c%10ccc(-c%11nc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)cc%10C(F)(F)F)c9c87)c(C(F)(F)F)c6)n5)cc4)cc3)n2)c(C(F)(F)F)c1.

What is the InChIKey of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole?

The InChIKey is PWGCHNQWTNPVDD-LXWBUEGJSA-N. The full InChI is InChI=1S/C150H94F12N16/c1-5-7-17-43-89(3)123-125(93-45-19-9-20-46-93)129-110-62-36-40-66-118(110)176(106-80-82-107(114(88-106)148(154,155)156)145-171-138(98-55-29-14-30-56-98)165-139(172-145)99-57-31-15-32-58-99)132(129)131-127(123)109-61-35-39-65-117(109)175(131)105-79-81-108(113(87-105)147(151,152)153)146-173-140(100-59-33-16-34-60-100)166-142(174-146)102-75-71-92(72-76-102)91-69-73-101(74-70-91)141-164-137(97-53-27-13-28-54-97)169-144(170-141)104-78-84-122(116(86-104)150(160,161)162)178-120-68-42-38-64-112(120)130-126(94-47-21-10-22-48-94)124(90(4)44-18-8-6-2)128-111-63-37-41-67-119(111)177(133(128)134(130)178)121-83-77-103(85-115(121)149(157,158)159)143-167-135(95-49-23-11-24-50-95)163-136(168-143)96-51-25-12-26-52-96/h5-88H,1-2H2,3-4H3/b17-7-,18-8-,89-43+,90-44+.

What are the key properties of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole?

11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole has a molecular weight of 2348.49 g/mol, XLogP of 40.19, 25 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)phenyl]-12-[4-[4-[4-[4-[4-[4-[12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazol-11-yl]-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(trifluoromethyl)phenyl]-5-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-6-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 146411911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).