11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

C80H64N10O — CID 176782987

IUPAC11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESCC(C)(C)c1ccnc(N2c3ccccc3-c3ccccc3-c3ccc(Oc4cccc(N5CN(c6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc(C(C)(C)C)cc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C80H64N10O/c1-79(2,3)56-44-45-81-71(48-56)90-67-39-22-21-38-63(67)61-36-19-20-37-62(61)64-43-42-60(50-70(64)90)91-59-35-25-34-58(49-59)88-51-89(69-41-24-23-40-68(69)88)72-65(77-84-73(52-26-11-7-12-27-52)82-74(85-77)53-28-13-8-14-29-53)46-57(80(4,5)6)47-66(72)78-86-75(54-30-15-9-16-31-54)83-76(87-78)55-32-17-10-18-33-55/h7-50H,51H2,1-6H3
InChIKeyDFCJYHZIGQHFHK-UHFFFAOYSA-N
MW1181.46 g/mol
LogP20.21
Rot. Bonds11

About 11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (PubChem CID 176782987) has the molecular formula C80H64N10O and a molecular weight of 1181.46 g/mol. Its IUPAC name is 11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

Molecular Properties

Compound Name11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
PubChem CID176782987
Molecular FormulaC80H64N10O
Molecular Weight1181.46 g/mol
Exact Mass1180.53
IUPAC Name11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESCC(C)(C)c1ccnc(N2c3ccccc3-c3ccccc3-c3ccc(Oc4cccc(N5CN(c6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc(C(C)(C)C)cc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C80H64N10O/c1-79(2,3)56-44-45-81-71(48-56)90-67-39-22-21-38-63(67)61-36-19-20-37-62(61)64-43-42-60(50-70(64)90)91-59-35-25-34-58(49-59)88-51-89(69-41-24-23-40-68(69)88)72-65(77-84-73(52-26-11-7-12-27-52)82-74(85-77)53-28-13-8-14-29-53)46-57(80(4,5)6)47-66(72)78-86-75(54-30-15-9-16-31-54)83-76(87-78)55-32-17-10-18-33-55/h7-50H,51H2,1-6H3
InChIKeyDFCJYHZIGQHFHK-UHFFFAOYSA-N
XLogP20.21
TPSA109.18 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001181.46
LogP ≤ 520.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene with MolForge

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Launch Full Analysis

Related Compounds

11-[3-[3-(5-tert-butyl-3-methyl-2-pyridinyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 176782441
2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783069
11-[3-[3-(1-bicyclo[2.2.2]octanyl)-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 176783258
3-[[14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-yl]oxy]aniline
CID 176783530
8-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-3-phenylpyrido[3,2-b][1,4]benzoselenazine
CID 168840666
[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[[8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]benzimidazol-2-ylidene]platinum
CID 168796851
[1-[3-[[17,25-ditert-butyl-8-(4-tert-butyl-2-pyridinyl)-21-phenyl-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15(20),16,18,23,25-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 168796644
3-[3-[3-[2,6-bis(2-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole
CID 170677073
2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole
CID 168799742
2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783962
2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(9-phenylfluoren-9-yl)carbazole
CID 172545781
11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 170668607

Frequently Asked Questions

What is the IUPAC name of 11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The IUPAC name of 11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (CID 176782987) is 11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.
What is the SMILES notation for 11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The canonical SMILES for 11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is CC(C)(C)c1ccnc(N2c3ccccc3-c3ccccc3-c3ccc(Oc4cccc(N5CN(c6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc(C(C)(C)C)cc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6ccccc65)c4)cc32)c1.
What is the InChIKey of 11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The InChIKey is DFCJYHZIGQHFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H64N10O/c1-79(2,3)56-44-45-81-71(48-56)90-67-39-22-21-38-63(67)61-36-19-20-37-62(61)64-43-42-60(50-70(64)90)91-59-35-25-34-58(49-59)88-51-89(69-41-24-23-40-68(69)88)72-65(77-84-73(52-26-11-7-12-27-52)82-74(85-77)53-28-13-8-14-29-53)46-57(80(4,5)6)47-66(72)78-86-75(54-30-15-9-16-31-54)83-76(87-78)55-32-17-10-18-33-55/h7-50H,51H2,1-6H3.
What are the key properties of 11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene has a molecular weight of 1181.46 g/mol, XLogP of 20.21, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 176782987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).