N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide

C154H212N4O6S2 — CID 164952813

IUPACN-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide
SMILESCCCC1(CCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCC)CCC)C(CCC)(CCC)CC5(C)C)cc3)c3ccc(C4=C(O)C(c5ccc(N(c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6)c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6)cc5NS(C)(=O)=O)=C4O)c(NS(C)(=O)=O)c3)cc2)C(C)(C)CC1(CCC)CCC
InChIInChI=1S/C154H212N4O6S2/c1-35-71-147(72-36-2)93-139(17,18)129-113(147)89-114-130(140(19,20)94-148(114,73-37-3)74-38-4)123(129)101-51-59-105(60-52-101)157(106-61-53-102(54-62-106)124-131-115(149(75-39-5,76-40-6)95-141(131,21)22)90-116-132(124)142(23,24)96-150(116,77-41-7)78-42-8)109-67-69-111(121(87-109)155-165(33,161)162)127-137(159)128(138(127)160)112-70-68-110(88-122(112)156-166(34,163)164)158(107-63-55-103(56-64-107)125-133-117(151(79-43-9,80-44-10)97-143(133,25)26)91-118-134(125)144(27,28)98-152(118,81-45-11)82-46-12)108-65-57-104(58-66-108)126-135-119(153(83-47-13,84-48-14)99-145(135,29)30)92-120-136(126)146(31,32)100-154(120,85-49-15)86-50-16/h51-70,87-92,155-156,159-160H,35-50,71-86,93-100H2,1-34H3
InChIKeyATUYAJBDIKPQQJ-UHFFFAOYSA-N
MW2279.55 g/mol
LogP44.44
Rot. Bonds48

About N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide

N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide (PubChem CID 164952813) has the molecular formula C154H212N4O6S2 and a molecular weight of 2279.55 g/mol. Its IUPAC name is N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide
PubChem CID164952813
Molecular FormulaC154H212N4O6S2
Molecular Weight2279.55 g/mol
Exact Mass2277.58
IUPAC NameN-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide
SMILESCCCC1(CCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCC)CCC)C(CCC)(CCC)CC5(C)C)cc3)c3ccc(C4=C(O)C(c5ccc(N(c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6)c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6)cc5NS(C)(=O)=O)=C4O)c(NS(C)(=O)=O)c3)cc2)C(C)(C)CC1(CCC)CCC
InChIInChI=1S/C154H212N4O6S2/c1-35-71-147(72-36-2)93-139(17,18)129-113(147)89-114-130(140(19,20)94-148(114,73-37-3)74-38-4)123(129)101-51-59-105(60-52-101)157(106-61-53-102(54-62-106)124-131-115(149(75-39-5,76-40-6)95-141(131,21)22)90-116-132(124)142(23,24)96-150(116,77-41-7)78-42-8)109-67-69-111(121(87-109)155-165(33,161)162)127-137(159)128(138(127)160)112-70-68-110(88-122(112)156-166(34,163)164)158(107-63-55-103(56-64-107)125-133-117(151(79-43-9,80-44-10)97-143(133,25)26)91-118-134(125)144(27,28)98-152(118,81-45-11)82-46-12)108-65-57-104(58-66-108)126-135-119(153(83-47-13,84-48-14)99-145(135,29)30)92-120-136(126)146(31,32)100-154(120,85-49-15)86-50-16/h51-70,87-92,155-156,159-160H,35-50,71-86,93-100H2,1-34H3
InChIKeyATUYAJBDIKPQQJ-UHFFFAOYSA-N
XLogP44.44
TPSA139.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds48
Heavy Atoms166
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002279.55
LogP ≤ 544.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide (CID 164952813) is N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide is CCCC1(CCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCC)CCC)C(CCC)(CCC)CC5(C)C)cc3)c3ccc(C4=C(O)C(c5ccc(N(c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6)c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6)cc5NS(C)(=O)=O)=C4O)c(NS(C)(=O)=O)c3)cc2)C(C)(C)CC1(CCC)CCC.
What is the InChIKey of N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide?
The InChIKey is ATUYAJBDIKPQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C154H212N4O6S2/c1-35-71-147(72-36-2)93-139(17,18)129-113(147)89-114-130(140(19,20)94-148(114,73-37-3)74-38-4)123(129)101-51-59-105(60-52-101)157(106-61-53-102(54-62-106)124-131-115(149(75-39-5,76-40-6)95-141(131,21)22)90-116-132(124)142(23,24)96-150(116,77-41-7)78-42-8)109-67-69-111(121(87-109)155-165(33,161)162)127-137(159)128(138(127)160)112-70-68-110(88-122(112)156-166(34,163)164)158(107-63-55-103(56-64-107)125-133-117(151(79-43-9,80-44-10)97-143(133,25)26)91-118-134(125)144(27,28)98-152(118,81-45-11)82-46-12)108-65-57-104(58-66-108)126-135-119(153(83-47-13,84-48-14)99-145(135,29)30)92-120-136(126)146(31,32)100-154(120,85-49-15)86-50-16/h51-70,87-92,155-156,159-160H,35-50,71-86,93-100H2,1-34H3.
What are the key properties of N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide?
N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide has a molecular weight of 2279.55 g/mol, XLogP of 44.44, 48 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide is sourced from PubChem (CID 164952813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).