2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde

C160H162O10 — CID 101442004

About 2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde

2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde (PubChem CID 101442004) has the molecular formula C160H162O10 and a molecular weight of 2245.05 g/mol. Its IUPAC name is 2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde.

Molecular Properties

• Compound Name: 2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde
• PubChem CID: 101442004
• Molecular Formula: C160H162O10
• Molecular Weight: 2245.05 g/mol
• Exact Mass: 2243.22
• IUPAC Name: 2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde
• SMILES: CC(C)(C)c1ccc(-c2ccc(C(c3ccc(OCCOCCOCCOc4ccc(-c5ccc(C6(C=O)Cc7cc8c(cc7C6)CC(C=O)(c6ccc(-c7ccc(OCCOCCOCCOc9ccc(C(c%10ccc(-c%11ccc(C(C)(C)C)cc%11)cc%10)(c%10ccc(-c%11ccc(C(C)(C)C)cc%11)cc%10)c%10ccc(-c%11ccc(C(C)(C)C)cc%11)cc%10)cc9)cc7)cc6)C8)cc5)cc4)cc3)(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C160H162O10/c1-151(2,3)131-51-19-111(20-52-131)119-35-67-139(68-36-119)159(140-69-37-120(38-70-140)112-21-53-132(54-22-112)152(4,5)6,141-71-39-121(40-72-141)113-23-55-133(56-24-113)153(7,8)9)145-79-87-149(88-80-145)169-101-97-165-93-91-163-95-99-167-147-83-47-125(48-84-147)117-31-63-137(64-32-117)157(109-161)105-127-103-129-107-158(110-162,108-130(129)104-128(127)106-157)138-65-33-118(34-66-138)126-49-85-148(86-50-126)168-100-96-164-92-94-166-98-102-170-150-89-81-146(82-90-150)160(142-73-41-122(42-74-142)114-25-57-134(58-26-114)154(10,11)12,143-75-43-123(44-76-143)115-27-59-135(60-28-115)155(13,14)15)144-77-45-124(46-78-144)116-29-61-136(62-30-116)156(16,17)18/h19-90,103-104,109-110H,91-102,105-108H2,1-18H3
• InChIKey: CEKQHKDGULDUAZ-UHFFFAOYSA-N
• XLogP: 37.03
• TPSA: 107.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 42
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2245.05
LogP ≤ 5	37.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde?

The IUPAC name of 2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde (CID 101442004) is 2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde.

What is the SMILES notation for 2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde?

The canonical SMILES for 2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde is CC(C)(C)c1ccc(-c2ccc(C(c3ccc(OCCOCCOCCOc4ccc(-c5ccc(C6(C=O)Cc7cc8c(cc7C6)CC(C=O)(c6ccc(-c7ccc(OCCOCCOCCOc9ccc(C(c%10ccc(-c%11ccc(C(C)(C)C)cc%11)cc%10)(c%10ccc(-c%11ccc(C(C)(C)C)cc%11)cc%10)c%10ccc(-c%11ccc(C(C)(C)C)cc%11)cc%10)cc9)cc7)cc6)C8)cc5)cc4)cc3)(c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.

What is the InChIKey of 2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde?

The InChIKey is CEKQHKDGULDUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C160H162O10/c1-151(2,3)131-51-19-111(20-52-131)119-35-67-139(68-36-119)159(140-69-37-120(38-70-140)112-21-53-132(54-22-112)152(4,5)6,141-71-39-121(40-72-141)113-23-55-133(56-24-113)153(7,8)9)145-79-87-149(88-80-145)169-101-97-165-93-91-163-95-99-167-147-83-47-125(48-84-147)117-31-63-137(64-32-117)157(109-161)105-127-103-129-107-158(110-162,108-130(129)104-128(127)106-157)138-65-33-118(34-66-138)126-49-85-148(86-50-126)168-100-96-164-92-94-166-98-102-170-150-89-81-146(82-90-150)160(142-73-41-122(42-74-142)114-25-57-134(58-26-114)154(10,11)12,143-75-43-123(44-76-143)115-27-59-135(60-28-115)155(13,14)15)144-77-45-124(46-78-144)116-29-61-136(62-30-116)156(16,17)18/h19-90,103-104,109-110H,91-102,105-108H2,1-18H3.

What are the key properties of 2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde?

2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde has a molecular weight of 2245.05 g/mol, XLogP of 37.03, 42 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis[4-[4-[2-[2-[2-[4-[tris[4-(4-tert-butylphenyl)phenyl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]phenyl]-1,3,5,7-tetrahydro-s-indacene-2,6-dicarbaldehyde is sourced from PubChem (CID 101442004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).