9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene

C33H34 — CID 157296228

IUPAC9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene
SMILESCC(C)C1c2ccccc2-c2ccccc21.CC(C)C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C17H18.C16H16/c1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,12,17H,11H2,1-2H3;3-11,16H,1-2H3
InChIKeyBBJKXTGJTRICJZ-UHFFFAOYSA-N
MW430.64 g/mol
LogP8.83
Rot. Bonds2

About 9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene

9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene (PubChem CID 157296228) has the molecular formula C33H34 and a molecular weight of 430.64 g/mol. Its IUPAC name is 9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene.

Molecular Properties

Compound Name9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene
PubChem CID157296228
Molecular FormulaC33H34
Molecular Weight430.64 g/mol
Exact Mass430.27
IUPAC Name9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene
SMILESCC(C)C1c2ccccc2-c2ccccc21.CC(C)C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C17H18.C16H16/c1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,12,17H,11H2,1-2H3;3-11,16H,1-2H3
InChIKeyBBJKXTGJTRICJZ-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
9H-fluorene;9H-fluoren-9-ol
CID 68734201
ethane;bis(pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene)
CID 167587825
adamantane;benzene;bicyclo[4.2.0]octa-1,3,5-triene;cyclobutane;cycloheptane;cyclohexane;bis(cyclopentane);cyclopropane;methane;dodecakis(2-methylpropane);naphthalene;oxolane;9-propan-2-yl-9H-fluorene;thiolane
CID 161401407
[(1R)-1-(9H-fluoren-9-yl)ethyl] formate
CID 174060552
N-(2-methylpropyl)-9,10-dihydroanthracen-9-amine
CID 62919912
2-(9H-fluoren-9-yl)propan-1-ol
CID 147445819
4-chloro-11-propan-2-yl-6,11-dihydrobenzo[c][1]benzothiepine
CID 70369546
(7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one
CID 58780288
9-iodo-9,10-dihydroanthracene
CID 70258846
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
1,4-dimethyl-11-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine
CID 70369557

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene?
The IUPAC name of 9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene (CID 157296228) is 9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene.
What is the SMILES notation for 9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene?
The canonical SMILES for 9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene is CC(C)C1c2ccccc2-c2ccccc21.CC(C)C1c2ccccc2Cc2ccccc21.
What is the InChIKey of 9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene?
The InChIKey is BBJKXTGJTRICJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18.C16H16/c1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,12,17H,11H2,1-2H3;3-11,16H,1-2H3.
What are the key properties of 9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene?
9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene has a molecular weight of 430.64 g/mol, XLogP of 8.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-9,10-dihydroanthracene;9-propan-2-yl-9H-fluorene is sourced from PubChem (CID 157296228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).