3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine

C128H80N8 — CID 129200938

IUPAC3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(c6)nc(-c6cccc8c(-c9cc(-c%10ccc%11c(c%10)C%10(c%12ccccc%12-c%12ccccc%12%10)c%10ccccc%10-%11)cc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)cccc68)c6ccccc67)c5)n4)cc(-c4cccc5c(-c6nc7ccccc7c7ccccc67)cccc45)c3)cc21
InChIInChI=1S/C128H80N8/c1-127(2)111-56-21-16-41-99(111)103-64-61-81(74-115(103)127)85-68-87(91-48-27-52-95-93(91)50-29-54-109(95)119-107-46-14-12-39-97(107)105-45-20-25-60-117(105)129-119)73-90(70-85)126-135-123(79-35-10-5-11-36-79)132-124(136-126)84-38-26-37-80(67-84)83-63-66-106-98-40-13-15-47-108(98)120(130-118(106)76-83)110-55-30-51-94-92(49-28-53-96(94)110)88-69-86(71-89(72-88)125-133-121(77-31-6-3-7-32-77)131-122(134-125)78-33-8-4-9-34-78)82-62-65-104-102-44-19-24-59-114(102)128(116(104)75-82)112-57-22-17-42-100(112)101-43-18-23-58-113(101)128/h3-76H,1-2H3
InChIKeyOTGRZVQJAGQPSZ-UHFFFAOYSA-N
MW1730.10 g/mol
LogP32.09
Rot. Bonds13

About 3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine

3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine (PubChem CID 129200938) has the molecular formula C128H80N8 and a molecular weight of 1730.10 g/mol. Its IUPAC name is 3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine.

Molecular Properties

Compound Name3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine
PubChem CID129200938
Molecular FormulaC128H80N8
Molecular Weight1730.10 g/mol
Exact Mass1728.65
IUPAC Name3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(c6)nc(-c6cccc8c(-c9cc(-c%10ccc%11c(c%10)C%10(c%12ccccc%12-c%12ccccc%12%10)c%10ccccc%10-%11)cc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)cccc68)c6ccccc67)c5)n4)cc(-c4cccc5c(-c6nc7ccccc7c7ccccc67)cccc45)c3)cc21
InChIInChI=1S/C128H80N8/c1-127(2)111-56-21-16-41-99(111)103-64-61-81(74-115(103)127)85-68-87(91-48-27-52-95-93(91)50-29-54-109(95)119-107-46-14-12-39-97(107)105-45-20-25-60-117(105)129-119)73-90(70-85)126-135-123(79-35-10-5-11-36-79)132-124(136-126)84-38-26-37-80(67-84)83-63-66-106-98-40-13-15-47-108(98)120(130-118(106)76-83)110-55-30-51-94-92(49-28-53-96(94)110)88-69-86(71-89(72-88)125-133-121(77-31-6-3-7-32-77)131-122(134-125)78-33-8-4-9-34-78)82-62-65-104-102-44-19-24-59-114(102)128(116(104)75-82)112-57-22-17-42-100(112)101-43-18-23-58-113(101)128/h3-76H,1-2H3
InChIKeyOTGRZVQJAGQPSZ-UHFFFAOYSA-N
XLogP32.09
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001730.10
LogP ≤ 532.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine?
The IUPAC name of 3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine (CID 129200938) is 3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine.
What is the SMILES notation for 3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine?
The canonical SMILES for 3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(c6)nc(-c6cccc8c(-c9cc(-c%10ccc%11c(c%10)C%10(c%12ccccc%12-c%12ccccc%12%10)c%10ccccc%10-%11)cc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)cccc68)c6ccccc67)c5)n4)cc(-c4cccc5c(-c6nc7ccccc7c7ccccc67)cccc45)c3)cc21.
What is the InChIKey of 3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine?
The InChIKey is OTGRZVQJAGQPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H80N8/c1-127(2)111-56-21-16-41-99(111)103-64-61-81(74-115(103)127)85-68-87(91-48-27-52-95-93(91)50-29-54-109(95)119-107-46-14-12-39-97(107)105-45-20-25-60-117(105)129-119)73-90(70-85)126-135-123(79-35-10-5-11-36-79)132-124(136-126)84-38-26-37-80(67-84)83-63-66-106-98-40-13-15-47-108(98)120(130-118(106)76-83)110-55-30-51-94-92(49-28-53-96(94)110)88-69-86(71-89(72-88)125-133-121(77-31-6-3-7-32-77)131-122(134-125)78-33-8-4-9-34-78)82-62-65-104-102-44-19-24-59-114(102)128(116(104)75-82)112-57-22-17-42-100(112)101-43-18-23-58-113(101)128/h3-76H,1-2H3.
What are the key properties of 3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine?
3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine has a molecular weight of 1730.10 g/mol, XLogP of 32.09, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(5-phenanthridin-6-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]naphthalen-1-yl]phenanthridine is sourced from PubChem (CID 129200938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).