2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

C102H72N26 — CID 134292616

IUPAC2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccnc(Cc4nc(C)nc(-c5ccc6c(c5)c5cc(-c7nc(C)nc(C)n7)ccc5n6-c5cc(-c6ccncc6)cc(-n6c7ccc(-c8nc(C)nc(C)n8)cc7c7cc(-c8nc(C)nc(C)n8)ccc76)c5C#N)n4)c3)cc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2C#N)n1
InChIInChI=1S/C102H72N26/c1-52-107-53(2)114-97(113-52)65-20-26-86-76(39-65)74-16-12-14-18-84(74)125(86)94-47-72(48-95(83(94)51-104)126-85-19-15-13-17-75(85)77-40-66(21-27-87(77)126)98-115-54(3)108-55(4)116-98)64-34-37-106-73(38-64)49-96-112-62(11)123-102(124-96)70-25-31-91-81(44-70)80-43-69(101-121-60(9)111-61(10)122-101)24-30-90(80)128(91)93-46-71(63-32-35-105-36-33-63)45-92(82(93)50-103)127-88-28-22-67(99-117-56(5)109-57(6)118-99)41-78(88)79-42-68(23-29-89(79)127)100-119-58(7)110-59(8)120-100/h12-48H,49H2,1-11H3
InChIKeyXPWAITSZJFBSIP-UHFFFAOYSA-N
MW1661.88 g/mol
LogP20.04
Rot. Bonds14

About 2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (PubChem CID 134292616) has the molecular formula C102H72N26 and a molecular weight of 1661.88 g/mol. Its IUPAC name is 2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
PubChem CID134292616
Molecular FormulaC102H72N26
Molecular Weight1661.88 g/mol
Exact Mass1660.64
IUPAC Name2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESCc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccnc(Cc4nc(C)nc(-c5ccc6c(c5)c5cc(-c7nc(C)nc(C)n7)ccc5n6-c5cc(-c6ccncc6)cc(-n6c7ccc(-c8nc(C)nc(C)n8)cc7c7cc(-c8nc(C)nc(C)n8)ccc76)c5C#N)n4)c3)cc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2C#N)n1
InChIInChI=1S/C102H72N26/c1-52-107-53(2)114-97(113-52)65-20-26-86-76(39-65)74-16-12-14-18-84(74)125(86)94-47-72(48-95(83(94)51-104)126-85-19-15-13-17-75(85)77-40-66(21-27-87(77)126)98-115-54(3)108-55(4)116-98)64-34-37-106-73(38-64)49-96-112-62(11)123-102(124-96)70-25-31-91-81(44-70)80-43-69(101-121-60(9)111-61(10)122-101)24-30-90(80)128(91)93-46-71(63-32-35-105-36-33-63)45-92(82(93)50-103)127-88-28-22-67(99-117-56(5)109-57(6)118-99)41-78(88)79-42-68(23-29-89(79)127)100-119-58(7)110-59(8)120-100/h12-48H,49H2,1-11H3
InChIKeyXPWAITSZJFBSIP-UHFFFAOYSA-N
XLogP20.04
TPSA325.10 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001661.88
LogP ≤ 520.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (CID 134292616) is 2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccnc(Cc4nc(C)nc(-c5ccc6c(c5)c5cc(-c7nc(C)nc(C)n7)ccc5n6-c5cc(-c6ccncc6)cc(-n6c7ccc(-c8nc(C)nc(C)n8)cc7c7cc(-c8nc(C)nc(C)n8)ccc76)c5C#N)n4)c3)cc(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2C#N)n1.
What is the InChIKey of 2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The InChIKey is XPWAITSZJFBSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H72N26/c1-52-107-53(2)114-97(113-52)65-20-26-86-76(39-65)74-16-12-14-18-84(74)125(86)94-47-72(48-95(83(94)51-104)126-85-19-15-13-17-75(85)77-40-66(21-27-87(77)126)98-115-54(3)108-55(4)116-98)64-34-37-106-73(38-64)49-96-112-62(11)123-102(124-96)70-25-31-91-81(44-70)80-43-69(101-121-60(9)111-61(10)122-101)24-30-90(80)128(91)93-46-71(63-32-35-105-36-33-63)45-92(82(93)50-103)127-88-28-22-67(99-117-56(5)109-57(6)118-99)41-78(88)79-42-68(23-29-89(79)127)100-119-58(7)110-59(8)120-100/h12-48H,49H2,1-11H3.
What are the key properties of 2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile has a molecular weight of 1661.88 g/mol, XLogP of 20.04, 14 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-[3-[4-[[4-[4-cyano-3,5-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-2-pyridinyl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134292616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).