9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene

C65H60 — CID 14140318

IUPAC9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene
SMILESc1ccc2c(c1)Cc1ccccc1C2CCCC1c2ccccc2C(CCCC2c3ccccc3C(CCCC3c4ccccc4Cc4ccccc43)c3ccccc32)c2ccccc21
InChIInChI=1S/C65H60/c1-5-24-48-44(20-1)42-45-21-2-6-25-49(45)52(48)36-17-38-62-54-28-9-13-32-58(54)64(59-33-14-10-29-55(59)62)40-19-41-65-60-34-15-11-30-56(60)63(57-31-12-16-35-61(57)65)39-18-37-53-50-26-7-3-22-46(50)43-47-23-4-8-27-51(47)53/h1-16,20-35,52-53,62-65H,17-19,36-43H2
InChIKeyYJLZTOJLHMOYNI-UHFFFAOYSA-N
MW841.20 g/mol
LogP16.52
Rot. Bonds12

About 9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene

9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene (PubChem CID 14140318) has the molecular formula C65H60 and a molecular weight of 841.20 g/mol. Its IUPAC name is 9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene.

Molecular Properties

Compound Name9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene
PubChem CID14140318
Molecular FormulaC65H60
Molecular Weight841.20 g/mol
Exact Mass840.47
IUPAC Name9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene
SMILESc1ccc2c(c1)Cc1ccccc1C2CCCC1c2ccccc2C(CCCC2c3ccccc3C(CCCC3c4ccccc4Cc4ccccc43)c3ccccc32)c2ccccc21
InChIInChI=1S/C65H60/c1-5-24-48-44(20-1)42-45-21-2-6-25-49(45)52(48)36-17-38-62-54-28-9-13-32-58(54)64(59-33-14-10-29-55(59)62)40-19-41-65-60-34-15-11-30-56(60)63(57-31-12-16-35-61(57)65)39-18-37-53-50-26-7-3-22-46(50)43-47-23-4-8-27-51(47)53/h1-16,20-35,52-53,62-65H,17-19,36-43H2
InChIKeyYJLZTOJLHMOYNI-UHFFFAOYSA-N
XLogP16.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.20
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene 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

9-[3-[4-[(E)-4-ethylhex-4-enyl]cyclohexyl]propyl]-2-methyl-9,10-dihydroanthracene
CID 143637969
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
9-iodo-9,10-dihydroanthracene
CID 70258846
tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol
CID 10033475
ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate
CID 165437215
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanenitrile
CID 10848103
N-(9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)hydroxylamine
CID 88828717
2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine
CID 83985096
butyl 2-(9,10-dihydroanthracen-9-yl)acetate
CID 162412897
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethylazanium
CID 7009453
9H-fluorene;9H-fluoren-9-ol
CID 68734201

Frequently Asked Questions

What is the IUPAC name of 9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene?
The IUPAC name of 9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene (CID 14140318) is 9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene.
What is the SMILES notation for 9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene?
The canonical SMILES for 9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene is c1ccc2c(c1)Cc1ccccc1C2CCCC1c2ccccc2C(CCCC2c3ccccc3C(CCCC3c4ccccc4Cc4ccccc43)c3ccccc32)c2ccccc21.
What is the InChIKey of 9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene?
The InChIKey is YJLZTOJLHMOYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H60/c1-5-24-48-44(20-1)42-45-21-2-6-25-49(45)52(48)36-17-38-62-54-28-9-13-32-58(54)64(59-33-14-10-29-55(59)62)40-19-41-65-60-34-15-11-30-56(60)63(57-31-12-16-35-61(57)65)39-18-37-53-50-26-7-3-22-46(50)43-47-23-4-8-27-51(47)53/h1-16,20-35,52-53,62-65H,17-19,36-43H2.
What are the key properties of 9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene?
9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene has a molecular weight of 841.20 g/mol, XLogP of 16.52, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(9,10-dihydroanthracen-9-yl)propyl]-10-[3-[10-[3-(9,10-dihydroanthracen-9-yl)propyl]-9,10-dihydroanthracen-9-yl]propyl]-9,10-dihydroanthracene is sourced from PubChem (CID 14140318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).