2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate

C336H448N4O8-4 — CID 165012205

About 2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate

2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate (PubChem CID 165012205) has the molecular formula C336H448N4O8-4 and a molecular weight of 4671.30 g/mol. Its IUPAC name is 2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate.

Molecular Properties

• Compound Name: 2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate
• PubChem CID: 165012205
• Molecular Formula: C336H448N4O8-4
• Molecular Weight: 4671.30 g/mol
• Exact Mass: 4667.48
• IUPAC Name: 2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate
• SMILES: CCCC1(CCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCC)CCC)C(CCC)(CCC)CC5(C)C)cc3)c3ccc4c(O)c(C5=C([O-])C(c6ccc7cc(N(c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CCC)CCC)C(CCC)(CCC)CC%10(C)C)cc8)c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CCC)CCC)C(CCC)(CCC)CC%10(C)C)cc8)ccc7c6O)=C5[O-])ccc4c3)cc2)C(C)(C)CC1(CCC)CCC.CCCCC1(CCCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCCC)CCCC)C(CCCC)(CCCC)CC5(C)C)cc3)c3ccc4c(O)c(C5=C([O-])C(c6ccc7cc(N(c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CCCC)CCCC)C(CCCC)(CCCC)CC%10(C)C)cc8)c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CCCC)CCCC)C(CCCC)(CCCC)CC%10(C)C)cc8)ccc7c6O)=C5[O-])ccc4c3)cc2)C(C)(C)CC1(CCCC)CCCC
• InChI: InChI=1S/C176H242N2O4.C160H210N2O4/c1-33-49-89-169(90-50-34-2)111-161(17,18)149-135(169)107-136-150(162(19,20)112-170(136,91-51-35-3)92-52-36-4)143(149)119-65-75-125(76-66-119)177(126-77-67-120(68-78-126)144-151-137(171(93-53-37-5,94-54-38-6)113-163(151,21)22)108-138-152(144)164(23,24)114-172(138,95-55-39-7)96-56-40-8)129-83-87-131-123(105-129)73-85-133(157(131)179)147-159(181)148(160(147)182)134-86-74-124-106-130(84-88-132(124)158(134)180)178(127-79-69-121(70-80-127)145-153-139(173(97-57-41-9,98-58-42-10)115-165(153,25)26)109-140-154(145)166(27,28)116-174(140,99-59-43-11)100-60-44-12)128-81-71-122(72-82-128)146-155-141(175(101-61-45-13,102-62-46-14)117-167(155,29)30)110-142-156(146)168(31,32)118-176(142,103-63-47-15)104-64-48-16;1-33-73-153(74-34-2)95-145(17,18)133-119(153)91-120-134(146(19,20)96-154(120,75-35-3)76-36-4)127(133)103-49-59-109(60-50-103)161(110-61-51-104(52-62-110)128-135-121(155(77-37-5,78-38-6)97-147(135,21)22)92-122-136(128)148(23,24)98-156(122,79-39-7)80-40-8)113-67-71-115-107(89-113)57-69-117(141(115)163)131-143(165)132(144(131)166)118-70-58-108-90-114(68-72-116(108)142(118)164)162(111-63-53-105(54-64-111)129-137-123(157(81-41-9,82-42-10)99-149(137,25)26)93-124-138(129)150(27,28)100-158(124,83-43-11)84-44-12)112-65-55-106(56-66-112)130-139-125(159(85-45-13,86-46-14)101-151(139,29)30)94-126-140(130)152(31,32)102-160(126,87-47-15)88-48-16/h65-88,105-110,179-182H,33-64,89-104,111-118H2,1-32H3;49-72,89-94,163-166H,33-48,73-88,95-102H2,1-32H3/p-4
• InChIKey: JWHMRARMTPVFBV-UHFFFAOYSA-J
• XLogP: 96.29
• TPSA: 186.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 104
• Heavy Atoms: 348
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4671.30
LogP ≤ 5	96.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate?

The IUPAC name of 2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate (CID 165012205) is 2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate.

What is the SMILES notation for 2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate?

The canonical SMILES for 2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate 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)c3ccc4c(O)c(C5=C([O-])C(c6ccc7cc(N(c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CCC)CCC)C(CCC)(CCC)CC%10(C)C)cc8)c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CCC)CCC)C(CCC)(CCC)CC%10(C)C)cc8)ccc7c6O)=C5[O-])ccc4c3)cc2)C(C)(C)CC1(CCC)CCC.CCCCC1(CCCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCCC)CCCC)C(CCCC)(CCCC)CC5(C)C)cc3)c3ccc4c(O)c(C5=C([O-])C(c6ccc7cc(N(c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CCCC)CCCC)C(CCCC)(CCCC)CC%10(C)C)cc8)c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CCCC)CCCC)C(CCCC)(CCCC)CC%10(C)C)cc8)ccc7c6O)=C5[O-])ccc4c3)cc2)C(C)(C)CC1(CCCC)CCCC.

What is the InChIKey of 2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate?

The InChIKey is JWHMRARMTPVFBV-UHFFFAOYSA-J. The full InChI is InChI=1S/C176H242N2O4.C160H210N2O4/c1-33-49-89-169(90-50-34-2)111-161(17,18)149-135(169)107-136-150(162(19,20)112-170(136,91-51-35-3)92-52-36-4)143(149)119-65-75-125(76-66-119)177(126-77-67-120(68-78-126)144-151-137(171(93-53-37-5,94-54-38-6)113-163(151,21)22)108-138-152(144)164(23,24)114-172(138,95-55-39-7)96-56-40-8)129-83-87-131-123(105-129)73-85-133(157(131)179)147-159(181)148(160(147)182)134-86-74-124-106-130(84-88-132(124)158(134)180)178(127-79-69-121(70-80-127)145-153-139(173(97-57-41-9,98-58-42-10)115-165(153,25)26)109-140-154(145)166(27,28)116-174(140,99-59-43-11)100-60-44-12)128-81-71-122(72-82-128)146-155-141(175(101-61-45-13,102-62-46-14)117-167(155,29)30)110-142-156(146)168(31,32)118-176(142,103-63-47-15)104-64-48-16;1-33-73-153(74-34-2)95-145(17,18)133-119(153)91-120-134(146(19,20)96-154(120,75-35-3)76-36-4)127(133)103-49-59-109(60-50-103)161(110-61-51-104(52-62-110)128-135-121(155(77-37-5,78-38-6)97-147(135,21)22)92-122-136(128)148(23,24)98-156(122,79-39-7)80-40-8)113-67-71-115-107(89-113)57-69-117(141(115)163)131-143(165)132(144(131)166)118-70-58-108-90-114(68-72-116(108)142(118)164)162(111-63-53-105(54-64-111)129-137-123(157(81-41-9,82-42-10)99-149(137,25)26)93-124-138(129)150(27,28)100-158(124,83-43-11)84-44-12)112-65-55-106(56-66-112)130-139-125(159(85-45-13,86-46-14)101-151(139,29)30)94-126-140(130)152(31,32)102-160(126,87-47-15)88-48-16/h65-88,105-110,179-182H,33-64,89-104,111-118H2,1-32H3;49-72,89-94,163-166H,33-48,73-88,95-102H2,1-32H3/p-4.

What are the key properties of 2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate?

2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate has a molecular weight of 4671.30 g/mol, XLogP of 96.29, 104 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[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]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate is sourced from PubChem (CID 165012205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).