3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine

C140H143N11 — CID 122487895

IUPAC3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine
SMILESCC1(C)c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(C9=NC9(N)c9ccc%10c(c9)C(C)(C)C(C)(C)C%10(C)C)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)n9)cn8)cc7)c6)cc5)nc4)nc(-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)n3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C140H143N11/c1-125(2)105-63-55-88(74-110(105)130(11,12)135(125,21)22)119-145-120(89-56-64-106-111(75-89)131(13,14)136(23,24)126(106,3)4)148-123(147-119)93-60-69-116(143-80-93)86-51-45-83(46-52-86)100-38-32-35-41-103(100)96-71-95(102-40-34-31-37-99(102)82-43-49-85(50-44-82)115-68-59-92(79-142-115)118-140(141,151-118)98-62-67-109-114(78-98)134(19,20)139(29,30)129(109,9)10)72-97(73-96)104-42-36-33-39-101(104)84-47-53-87(54-48-84)117-70-61-94(81-144-117)124-149-121(90-57-65-107-112(76-90)132(15,16)137(25,26)127(107,5)6)146-122(150-124)91-58-66-108-113(77-91)133(17,18)138(27,28)128(108,7)8/h31-81H,141H2,1-30H3
InChIKeyNIQOVFFDSBTZJD-UHFFFAOYSA-N
MW1979.76 g/mol
LogP34.84
Rot. Bonds17

About 3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine

3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine (PubChem CID 122487895) has the molecular formula C140H143N11 and a molecular weight of 1979.76 g/mol. Its IUPAC name is 3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine.

Molecular Properties

Compound Name3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine
PubChem CID122487895
Molecular FormulaC140H143N11
Molecular Weight1979.76 g/mol
Exact Mass1978.15
IUPAC Name3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine
SMILESCC1(C)c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(C9=NC9(N)c9ccc%10c(c9)C(C)(C)C(C)(C)C%10(C)C)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)n9)cn8)cc7)c6)cc5)nc4)nc(-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)n3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C140H143N11/c1-125(2)105-63-55-88(74-110(105)130(11,12)135(125,21)22)119-145-120(89-56-64-106-111(75-89)131(13,14)136(23,24)126(106,3)4)148-123(147-119)93-60-69-116(143-80-93)86-51-45-83(46-52-86)100-38-32-35-41-103(100)96-71-95(102-40-34-31-37-99(102)82-43-49-85(50-44-82)115-68-59-92(79-142-115)118-140(141,151-118)98-62-67-109-114(78-98)134(19,20)139(29,30)129(109,9)10)72-97(73-96)104-42-36-33-39-101(104)84-47-53-87(54-48-84)117-70-61-94(81-144-117)124-149-121(90-57-65-107-112(76-90)132(15,16)137(25,26)127(107,5)6)146-122(150-124)91-58-66-108-113(77-91)133(17,18)138(27,28)128(108,7)8/h31-81H,141H2,1-30H3
InChIKeyNIQOVFFDSBTZJD-UHFFFAOYSA-N
XLogP34.84
TPSA154.39 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001979.76
LogP ≤ 534.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine?
The IUPAC name of 3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine (CID 122487895) is 3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine.
What is the SMILES notation for 3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine?
The canonical SMILES for 3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine is CC1(C)c2ccc(-c3nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(C9=NC9(N)c9ccc%10c(c9)C(C)(C)C(C)(C)C%10(C)C)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)nc(-c%10ccc%11c(c%10)C(C)(C)C(C)(C)C%11(C)C)n9)cn8)cc7)c6)cc5)nc4)nc(-c4ccc5c(c4)C(C)(C)C(C)(C)C5(C)C)n3)cc2C(C)(C)C1(C)C.
What is the InChIKey of 3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine?
The InChIKey is NIQOVFFDSBTZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H143N11/c1-125(2)105-63-55-88(74-110(105)130(11,12)135(125,21)22)119-145-120(89-56-64-106-111(75-89)131(13,14)136(23,24)126(106,3)4)148-123(147-119)93-60-69-116(143-80-93)86-51-45-83(46-52-86)100-38-32-35-41-103(100)96-71-95(102-40-34-31-37-99(102)82-43-49-85(50-44-82)115-68-59-92(79-142-115)118-140(141,151-118)98-62-67-109-114(78-98)134(19,20)139(29,30)129(109,9)10)72-97(73-96)104-42-36-33-39-101(104)84-47-53-87(54-48-84)117-70-61-94(81-144-117)124-149-121(90-57-65-107-112(76-90)132(15,16)137(25,26)127(107,5)6)146-122(150-124)91-58-66-108-113(77-91)133(17,18)138(27,28)128(108,7)8/h31-81H,141H2,1-30H3.
What are the key properties of 3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine?
3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine has a molecular weight of 1979.76 g/mol, XLogP of 34.84, 17 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-2-(1,1,2,2,3,3-hexamethylinden-5-yl)azirin-2-amine is sourced from PubChem (CID 122487895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).