N'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide

C120H111N11 — CID 139352270

IUPACN'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide
SMILESC=N/C(=N\C(=C)c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(-c6nc(C)nc(-c7ccc8c(c7)C(C)(C)CC8(C)C)n6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccc(-c6nc(-c7ccc8c(c7)C(C)(C)CC8(C)C)nc(-c7ccc8c(c7)C(C)(C)CC8(C)C)n6)cn5)cc4)c3)cc2)nc1)c1ccc2c(c1)C(C)(C)CC2(C)C
InChIInChI=1S/C120H111N11/c1-72(125-107(121-19)80-44-51-96-100(61-80)117(11,12)68-113(96,3)4)84-48-55-104(122-65-84)77-38-32-74(33-39-77)90-26-20-23-29-93(90)87-58-88(94-30-24-21-27-91(94)75-34-40-78(41-35-75)105-56-49-85(66-123-105)111-127-73(2)126-108(128-111)81-45-52-97-101(62-81)118(13,14)69-114(97,5)6)60-89(59-87)95-31-25-22-28-92(95)76-36-42-79(43-37-76)106-57-50-86(67-124-106)112-130-109(82-46-53-98-102(63-82)119(15,16)70-115(98,7)8)129-110(131-112)83-47-54-99-103(64-83)120(17,18)71-116(99,9)10/h20-67H,1,19,68-71H2,2-18H3/b125-107-
InChIKeyDWMDXNUOQQWGHX-WNDHQVSBSA-N
MW1707.28 g/mol
LogP29.84
Rot. Bonds17

About N'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide

N'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide (PubChem CID 139352270) has the molecular formula C120H111N11 and a molecular weight of 1707.28 g/mol. Its IUPAC name is N'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide.

Molecular Properties

Compound NameN'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide
PubChem CID139352270
Molecular FormulaC120H111N11
Molecular Weight1707.28 g/mol
Exact Mass1705.90
IUPAC NameN'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide
SMILESC=N/C(=N\C(=C)c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(-c6nc(C)nc(-c7ccc8c(c7)C(C)(C)CC8(C)C)n6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccc(-c6nc(-c7ccc8c(c7)C(C)(C)CC8(C)C)nc(-c7ccc8c(c7)C(C)(C)CC8(C)C)n6)cn5)cc4)c3)cc2)nc1)c1ccc2c(c1)C(C)(C)CC2(C)C
InChIInChI=1S/C120H111N11/c1-72(125-107(121-19)80-44-51-96-100(61-80)117(11,12)68-113(96,3)4)84-48-55-104(122-65-84)77-38-32-74(33-39-77)90-26-20-23-29-93(90)87-58-88(94-30-24-21-27-91(94)75-34-40-78(41-35-75)105-56-49-85(66-123-105)111-127-73(2)126-108(128-111)81-45-52-97-101(62-81)118(13,14)69-114(97,5)6)60-89(59-87)95-31-25-22-28-92(95)76-36-42-79(43-37-76)106-57-50-86(67-124-106)112-130-109(82-46-53-98-102(63-82)119(15,16)70-115(98,7)8)129-110(131-112)83-47-54-99-103(64-83)120(17,18)71-116(99,9)10/h20-67H,1,19,68-71H2,2-18H3/b125-107-
InChIKeyDWMDXNUOQQWGHX-WNDHQVSBSA-N
XLogP29.84
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001707.28
LogP ≤ 529.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide?
The IUPAC name of N'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide (CID 139352270) is N'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide.
What is the SMILES notation for N'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide?
The canonical SMILES for N'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide is C=N/C(=N\C(=C)c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(-c6nc(C)nc(-c7ccc8c(c7)C(C)(C)CC8(C)C)n6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccc(-c6nc(-c7ccc8c(c7)C(C)(C)CC8(C)C)nc(-c7ccc8c(c7)C(C)(C)CC8(C)C)n6)cn5)cc4)c3)cc2)nc1)c1ccc2c(c1)C(C)(C)CC2(C)C.
What is the InChIKey of N'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide?
The InChIKey is DWMDXNUOQQWGHX-WNDHQVSBSA-N. The full InChI is InChI=1S/C120H111N11/c1-72(125-107(121-19)80-44-51-96-100(61-80)117(11,12)68-113(96,3)4)84-48-55-104(122-65-84)77-38-32-74(33-39-77)90-26-20-23-29-93(90)87-58-88(94-30-24-21-27-91(94)75-34-40-78(41-35-75)105-56-49-85(66-123-105)111-127-73(2)126-108(128-111)81-45-52-97-101(62-81)118(13,14)69-114(97,5)6)60-89(59-87)95-31-25-22-28-92(95)76-36-42-79(43-37-76)106-57-50-86(67-124-106)112-130-109(82-46-53-98-102(63-82)119(15,16)70-115(98,7)8)129-110(131-112)83-47-54-99-103(64-83)120(17,18)71-116(99,9)10/h20-67H,1,19,68-71H2,2-18H3/b125-107-.
What are the key properties of N'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide?
N'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide has a molecular weight of 1707.28 g/mol, XLogP of 29.84, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[6-[4-[2-[3-[2-[4-[5-[4,6-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[5-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]ethenyl]-1,1,3,3-tetramethyl-N-methylidene-2H-indene-5-carboximidamide is sourced from PubChem (CID 139352270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).