2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol

C147H188N2O4 — CID 164791451

About 2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol

2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol (PubChem CID 164791451) has the molecular formula C147H188N2O4 and a molecular weight of 2047.13 g/mol. Its IUPAC name is 2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol.

Molecular Properties

• Compound Name: 2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol
• PubChem CID: 164791451
• Molecular Formula: C147H188N2O4
• Molecular Weight: 2047.13 g/mol
• Exact Mass: 2045.46
• IUPAC Name: 2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol
• SMILES: CCCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3)c3ccc4c(O)c(C5C(O)C(c6ccc7cc(N(c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CC)CC)C(CC)(CC)CC%10(C)C)cc8)c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CC)CC)C(CC)(CC)CC%10(C)C)cc8)ccc7c6O)C5O)ccc4c3)cc2)C(C)(C)CC1(CCC)CCC
• InChI: InChI=1S/C147H188N2O4/c1-33-73-146(48-16)88-138(29,30)126-112(146)81-113-127(139(31,32)89-147(113,74-34-2)75-35-3)117(126)93-55-65-99(66-56-93)149(98-63-53-92(54-64-98)116-124-110(144(44-12,45-13)86-136(124,25)26)80-111-125(116)137(27,28)87-145(111,46-14)47-15)101-68-72-103-95(77-101)58-70-105(129(103)151)119-130(152)118(131(119)153)104-69-57-94-76-100(67-71-102(94)128(104)150)148(96-59-49-90(50-60-96)114-120-106(140(36-4,37-5)82-132(120,17)18)78-107-121(114)133(19,20)83-141(107,38-6)39-7)97-61-51-91(52-62-97)115-122-108(142(40-8,41-9)84-134(122,21)22)79-109-123(115)135(23,24)85-143(109,42-10)43-11/h49-72,76-81,118-119,130-131,150-153H,33-48,73-75,82-89H2,1-32H3
• InChIKey: GSMIKKGOGNPFFY-UHFFFAOYSA-N
• XLogP: 40.70
• TPSA: 87.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 31
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2047.13
LogP ≤ 5	40.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol?

The IUPAC name of 2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol (CID 164791451) is 2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol.

What is the SMILES notation for 2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol?

The canonical SMILES for 2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol is CCCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3)c3ccc4c(O)c(C5C(O)C(c6ccc7cc(N(c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CC)CC)C(CC)(CC)CC%10(C)C)cc8)c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CC)CC)C(CC)(CC)CC%10(C)C)cc8)ccc7c6O)C5O)ccc4c3)cc2)C(C)(C)CC1(CCC)CCC.

What is the InChIKey of 2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol?

The InChIKey is GSMIKKGOGNPFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C147H188N2O4/c1-33-73-146(48-16)88-138(29,30)126-112(146)81-113-127(139(31,32)89-147(113,74-34-2)75-35-3)117(126)93-55-65-99(66-56-93)149(98-63-53-92(54-64-98)116-124-110(144(44-12,45-13)86-136(124,25)26)80-111-125(116)137(27,28)87-145(111,46-14)47-15)101-68-72-103-95(77-101)58-70-105(129(103)151)119-130(152)118(131(119)153)104-69-57-94-76-100(67-71-102(94)128(104)150)148(96-59-49-90(50-60-96)114-120-106(140(36-4,37-5)82-132(120,17)18)78-107-121(114)133(19,20)83-141(107,38-6)39-7)97-61-51-91(52-62-97)115-122-108(142(40-8,41-9)84-134(122,21)22)79-109-123(115)135(23,24)85-143(109,42-10)43-11/h49-72,76-81,118-119,130-131,150-153H,33-48,73-75,82-89H2,1-32H3.

What are the key properties of 2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol?

2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol has a molecular weight of 2047.13 g/mol, XLogP of 40.70, 31 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol is sourced from PubChem (CID 164791451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).