[7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol

C71H90O14 — CID 89030603

IUPAC[7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol
SMILESCOCCOCCC1(CCOCCOC)c2cc(CO)ccc2-c2ccc(-c3ccc4c(c3)C(CCOCCOC)(CCOCCOC)c3cc(-c5ccc6c(c5)C(CCOCCOC)(CCOCCOC)c5cc(CO)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C71H90O14/c1-74-31-37-80-25-19-69(20-26-81-38-32-75-2)63-43-51(49-72)7-13-57(63)59-15-9-53(45-65(59)69)55-11-17-61-62-18-12-56(48-68(62)71(67(61)47-55,23-29-84-41-35-78-5)24-30-85-42-36-79-6)54-10-16-60-58-14-8-52(50-73)44-64(58)70(66(60)46-54,21-27-82-39-33-76-3)22-28-83-40-34-77-4/h7-18,43-48,72-73H,19-42,49-50H2,1-6H3
InChIKeyPBLLZUZYFUVSBN-UHFFFAOYSA-N
MW1167.49 g/mol
LogP11.12
Rot. Bonds40

About [7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol

[7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol (PubChem CID 89030603) has the molecular formula C71H90O14 and a molecular weight of 1167.49 g/mol. Its IUPAC name is [7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol.

Molecular Properties

Compound Name[7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol
PubChem CID89030603
Molecular FormulaC71H90O14
Molecular Weight1167.49 g/mol
Exact Mass1166.63
IUPAC Name[7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol
SMILESCOCCOCCC1(CCOCCOC)c2cc(CO)ccc2-c2ccc(-c3ccc4c(c3)C(CCOCCOC)(CCOCCOC)c3cc(-c5ccc6c(c5)C(CCOCCOC)(CCOCCOC)c5cc(CO)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C71H90O14/c1-74-31-37-80-25-19-69(20-26-81-38-32-75-2)63-43-51(49-72)7-13-57(63)59-15-9-53(45-65(59)69)55-11-17-61-62-18-12-56(48-68(62)71(67(61)47-55,23-29-84-41-35-78-5)24-30-85-42-36-79-6)54-10-16-60-58-14-8-52(50-73)44-64(58)70(66(60)46-54,21-27-82-39-33-76-3)22-28-83-40-34-77-4/h7-18,43-48,72-73H,19-42,49-50H2,1-6H3
InChIKeyPBLLZUZYFUVSBN-UHFFFAOYSA-N
XLogP11.12
TPSA151.22 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds40
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001167.49
LogP ≤ 511.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,11-bis[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
CID 102358965
[7-borono-9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]fluoren-2-yl]boronic acid;ethane
CID 145347180
9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 134222945
4-[4-[7-[4-(4-aminobutoxy)phenyl]-9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]butan-1-amine
CID 58473634
2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102153044
2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene
CID 58473533
9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methyl-9-(2-propoxyethyl)fluorene
CID 142549933
5-[2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-methylfluoren-2-yl]-9-(6,6-dimethylheptyl)-7-methylfluoren-9-yl]pentyl-trimethylazanium;5-[2-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-9-(6,6-dimethylheptyl)-7-methylfluoren-9-yl]pentyl-trimethylazanium;dibromide
CID 158104213
2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol
CID 90398124
6-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,7-dimethylfluoren-9-yl]hexyl-trimethylazanium
CID 153278370
2-[2,7-dibromo-9-(2-methoxyethyl)fluoren-9-yl]ethanol
CID 90399566
[4-(1-iodoethyl)benzenecarboximidoyl] 2,5-bis[9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]benzenecarboximidate
CID 142961500

Frequently Asked Questions

What is the IUPAC name of [7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol?
The IUPAC name of [7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol (CID 89030603) is [7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol.
What is the SMILES notation for [7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol?
The canonical SMILES for [7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol is COCCOCCC1(CCOCCOC)c2cc(CO)ccc2-c2ccc(-c3ccc4c(c3)C(CCOCCOC)(CCOCCOC)c3cc(-c5ccc6c(c5)C(CCOCCOC)(CCOCCOC)c5cc(CO)ccc5-6)ccc3-4)cc21.
What is the InChIKey of [7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol?
The InChIKey is PBLLZUZYFUVSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H90O14/c1-74-31-37-80-25-19-69(20-26-81-38-32-75-2)63-43-51(49-72)7-13-57(63)59-15-9-53(45-65(59)69)55-11-17-61-62-18-12-56(48-68(62)71(67(61)47-55,23-29-84-41-35-78-5)24-30-85-42-36-79-6)54-10-16-60-58-14-8-52(50-73)44-64(58)70(66(60)46-54,21-27-82-39-33-76-3)22-28-83-40-34-77-4/h7-18,43-48,72-73H,19-42,49-50H2,1-6H3.
What are the key properties of [7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol?
[7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol has a molecular weight of 1167.49 g/mol, XLogP of 11.12, 40 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol is sourced from PubChem (CID 89030603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).