2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine

C126H78N8 — CID 126514175

IUPAC2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccc8c(-c9ccc%10ccccc%10c9)c9ccc(-c%10cc(-c%11ccc%12c(-c%13ccc%14ccccc%14c%13)c%13ccccc%13c(-c%13ccc%14ccccc%14c%13)c%12c%11)ncn%10)cc9c(-c9ccc%10ccccc%10c9)c8c7)n6)n5)cc4c(-c4ccc5ccccc5c4)c3c2)n1
InChIInChI=1S/C126H78N8/c1-75-60-76(2)131-125(130-75)98-52-57-105-110(70-98)123(96-47-41-81-24-7-13-30-87(81)65-96)108-67-89(49-54-103(108)120(105)93-44-38-78-21-4-10-27-84(78)62-93)112-35-19-36-114(132-112)118-73-117(113-34-17-18-59-127-113)133-126(134-118)99-53-58-106-111(71-99)124(97-48-42-82-25-8-14-31-88(82)66-97)109-69-91(51-56-104(109)121(106)94-45-39-79-22-5-11-28-85(79)63-94)116-72-115(128-74-129-116)90-50-55-102-107(68-90)122(95-46-40-80-23-6-12-29-86(80)64-95)101-33-16-15-32-100(101)119(102)92-43-37-77-20-3-9-26-83(77)61-92/h3-74H,1-2H3
InChIKeyHALJLDKGJORROZ-UHFFFAOYSA-N
MW1704.07 g/mol
LogP32.97
Rot. Bonds13

About 2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine

2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine (PubChem CID 126514175) has the molecular formula C126H78N8 and a molecular weight of 1704.07 g/mol. Its IUPAC name is 2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine
PubChem CID126514175
Molecular FormulaC126H78N8
Molecular Weight1704.07 g/mol
Exact Mass1702.63
IUPAC Name2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccc8c(-c9ccc%10ccccc%10c9)c9ccc(-c%10cc(-c%11ccc%12c(-c%13ccc%14ccccc%14c%13)c%13ccccc%13c(-c%13ccc%14ccccc%14c%13)c%12c%11)ncn%10)cc9c(-c9ccc%10ccccc%10c9)c8c7)n6)n5)cc4c(-c4ccc5ccccc5c4)c3c2)n1
InChIInChI=1S/C126H78N8/c1-75-60-76(2)131-125(130-75)98-52-57-105-110(70-98)123(96-47-41-81-24-7-13-30-87(81)65-96)108-67-89(49-54-103(108)120(105)93-44-38-78-21-4-10-27-84(78)62-93)112-35-19-36-114(132-112)118-73-117(113-34-17-18-59-127-113)133-126(134-118)99-53-58-106-111(71-99)124(97-48-42-82-25-8-14-31-88(82)66-97)109-69-91(51-56-104(109)121(106)94-45-39-79-22-5-11-28-85(79)63-94)116-72-115(128-74-129-116)90-50-55-102-107(68-90)122(95-46-40-80-23-6-12-29-86(80)64-95)101-33-16-15-32-100(101)119(102)92-43-37-77-20-3-9-26-83(77)61-92/h3-74H,1-2H3
InChIKeyHALJLDKGJORROZ-UHFFFAOYSA-N
XLogP32.97
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001704.07
LogP ≤ 532.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine (CID 126514175) is 2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccc(-c5cccc(-c6cc(-c7ccccn7)nc(-c7ccc8c(-c9ccc%10ccccc%10c9)c9ccc(-c%10cc(-c%11ccc%12c(-c%13ccc%14ccccc%14c%13)c%13ccccc%13c(-c%13ccc%14ccccc%14c%13)c%12c%11)ncn%10)cc9c(-c9ccc%10ccccc%10c9)c8c7)n6)n5)cc4c(-c4ccc5ccccc5c4)c3c2)n1.
What is the InChIKey of 2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine?
The InChIKey is HALJLDKGJORROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H78N8/c1-75-60-76(2)131-125(130-75)98-52-57-105-110(70-98)123(96-47-41-81-24-7-13-30-87(81)65-96)108-67-89(49-54-103(108)120(105)93-44-38-78-21-4-10-27-84(78)62-93)112-35-19-36-114(132-112)118-73-117(113-34-17-18-59-127-113)133-126(134-118)99-53-58-106-111(71-99)124(97-48-42-82-25-8-14-31-88(82)66-97)109-69-91(51-56-104(109)121(106)94-45-39-79-22-5-11-28-85(79)63-94)116-72-115(128-74-129-116)90-50-55-102-107(68-90)122(95-46-40-80-23-6-12-29-86(80)64-95)101-33-16-15-32-100(101)119(102)92-43-37-77-20-3-9-26-83(77)61-92/h3-74H,1-2H3.
What are the key properties of 2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine?
2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine has a molecular weight of 1704.07 g/mol, XLogP of 32.97, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[6-[2-[7-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 126514175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).